tert-butyl N-[7-[(1S)-1-methoxyethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]carbamate;7-[(1S)-1-methoxyethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-amine;7-[(1S)-1-methoxyethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridine-6-carboxylic acid;1-[7-[(1S)-1-methoxyethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]-3-[6-(tetrazol-1-yl)-5-(trifluoromethyl)-3-pyridinyl]propan-2-one;6-(tetrazol-1-yl)-5-(trifluoromethyl)pyridin-3-amine

C63H69F6N21O9S4 — CID 161207182

IUPACtert-butyl N-[7-[(1S)-1-methoxyethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]carbamate;7-[(1S)-1-methoxyethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-amine;7-[(1S)-1-methoxyethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridine-6-carboxylic acid;1-[7-[(1S)-1-methoxyethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]-3-[6-(tetrazol-1-yl)-5-(trifluoromethyl)-3-pyridinyl]propan-2-one;6-(tetrazol-1-yl)-5-(trifluoromethyl)pyridin-3-amine
SMILESCO[C@@H](C)c1c(C(=O)O)cnc2sc(C)nc12.CO[C@@H](C)c1c(CC(=O)Cc2cnc(-n3cnnn3)c(C(F)(F)F)c2)cnc2sc(C)nc12.CO[C@@H](C)c1c(N)cnc2sc(C)nc12.CO[C@@H](C)c1c(NC(=O)OC(C)(C)C)cnc2sc(C)nc12.Nc1cnc(-n2cnnn2)c(C(F)(F)F)c1
InChIInChI=1S/C20H18F3N7O2S.C15H21N3O3S.C11H12N2O3S.C10H13N3OS.C7H5F3N6/c1-10(32-3)16-13(8-25-19-17(16)27-11(2)33-19)6-14(31)4-12-5-15(20(21,22)23)18(24-7-12)30-9-26-28-29-30;1-8(20-6)11-10(18-14(19)21-15(3,4)5)7-16-13-12(11)17-9(2)22-13;1-5(16-3)8-7(11(14)15)4-12-10-9(8)13-6(2)17-10;1-5(14-3)8-7(11)4-12-10-9(8)13-6(2)15-10;8-7(9,10)5-1-4(11)2-12-6(5)16-3-13-14-15-16/h5,7-10H,4,6H2,1-3H3;7-8H,1-6H3,(H,18,19);4-5H,1-3H3,(H,14,15);4-5H,11H2,1-3H3;1-3H,11H2/t10-;8-;2*5-;/m0000./s1
InChIKeyUVTJLZMXMMLJCA-VQUUQSTCSA-N
MW1506.64 g/mol
LogP12.86
Rot. Bonds16

About tert-butyl N-[7-[(1S)-1-methoxyethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]carbamate;7-[(1S)-1-methoxyethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-amine;7-[(1S)-1-methoxyethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridine-6-carboxylic acid;1-[7-[(1S)-1-methoxyethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]-3-[6-(tetrazol-1-yl)-5-(trifluoromethyl)-3-pyridinyl]propan-2-one;6-(tetrazol-1-yl)-5-(trifluoromethyl)pyridin-3-amine

tert-butyl N-[7-[(1S)-1-methoxyethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]carbamate;7-[(1S)-1-methoxyethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-amine;7-[(1S)-1-methoxyethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridine-6-carboxylic acid;1-[7-[(1S)-1-methoxyethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]-3-[6-(tetrazol-1-yl)-5-(trifluoromethyl)-3-pyridinyl]propan-2-one;6-(tetrazol-1-yl)-5-(trifluoromethyl)pyridin-3-amine (PubChem CID 161207182) has the molecular formula C63H69F6N21O9S4 and a molecular weight of 1506.64 g/mol. Its IUPAC name is tert-butyl N-[7-[(1S)-1-methoxyethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]carbamate;7-[(1S)-1-methoxyethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-amine;7-[(1S)-1-methoxyethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridine-6-carboxylic acid;1-[7-[(1S)-1-methoxyethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]-3-[6-(tetrazol-1-yl)-5-(trifluoromethyl)-3-pyridinyl]propan-2-one;6-(tetrazol-1-yl)-5-(trifluoromethyl)pyridin-3-amine.

Molecular Properties

Compound Nametert-butyl N-[7-[(1S)-1-methoxyethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]carbamate;7-[(1S)-1-methoxyethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-amine;7-[(1S)-1-methoxyethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridine-6-carboxylic acid;1-[7-[(1S)-1-methoxyethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]-3-[6-(tetrazol-1-yl)-5-(trifluoromethyl)-3-pyridinyl]propan-2-one;6-(tetrazol-1-yl)-5-(trifluoromethyl)pyridin-3-amine
PubChem CID161207182
Molecular FormulaC63H69F6N21O9S4
Molecular Weight1506.64 g/mol
Exact Mass1505.44
IUPAC Nametert-butyl N-[7-[(1S)-1-methoxyethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]carbamate;7-[(1S)-1-methoxyethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-amine;7-[(1S)-1-methoxyethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridine-6-carboxylic acid;1-[7-[(1S)-1-methoxyethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]-3-[6-(tetrazol-1-yl)-5-(trifluoromethyl)-3-pyridinyl]propan-2-one;6-(tetrazol-1-yl)-5-(trifluoromethyl)pyridin-3-amine
SMILESCO[C@@H](C)c1c(C(=O)O)cnc2sc(C)nc12.CO[C@@H](C)c1c(CC(=O)Cc2cnc(-n3cnnn3)c(C(F)(F)F)c2)cnc2sc(C)nc12.CO[C@@H](C)c1c(N)cnc2sc(C)nc12.CO[C@@H](C)c1c(NC(=O)OC(C)(C)C)cnc2sc(C)nc12.Nc1cnc(-n2cnnn2)c(C(F)(F)F)c1
InChIInChI=1S/C20H18F3N7O2S.C15H21N3O3S.C11H12N2O3S.C10H13N3OS.C7H5F3N6/c1-10(32-3)16-13(8-25-19-17(16)27-11(2)33-19)6-14(31)4-12-5-15(20(21,22)23)18(24-7-12)30-9-26-28-29-30;1-8(20-6)11-10(18-14(19)21-15(3,4)5)7-16-13-12(11)17-9(2)22-13;1-5(16-3)8-7(11(14)15)4-12-10-9(8)13-6(2)17-10;1-5(14-3)8-7(11)4-12-10-9(8)13-6(2)15-10;8-7(9,10)5-1-4(11)2-12-6(5)16-3-13-14-15-16/h5,7-10H,4,6H2,1-3H3;7-8H,1-6H3,(H,18,19);4-5H,1-3H3,(H,14,15);4-5H,11H2,1-3H3;1-3H,11H2/t10-;8-;2*5-;/m0000./s1
InChIKeyUVTJLZMXMMLJCA-VQUUQSTCSA-N
XLogP12.86
TPSA397.76 Ų
H-Bond Donors4
H-Bond Acceptors32
Rotatable Bonds16
Heavy Atoms103
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001506.64
LogP ≤ 512.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1032

Analyze tert-butyl N-[7-[(1S)-1-methoxyethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]carbamate;7-[(1S)-1-methoxyethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-amine;7-[(1S)-1-methoxyethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridine-6-carboxylic acid;1-[7-[(1S)-1-methoxyethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]-3-[6-(tetrazol-1-yl)-5-(trifluoromethyl)-3-pyridinyl]propan-2-one;6-(tetrazol-1-yl)-5-(trifluoromethyl)pyridin-3-amine with MolForge

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Launch Full Analysis

Related Compounds

[[butyl(hydroxy)phosphanyl]-deuteriophosphanyl]astatine;tert-butyl N-[7-[(1S)-1-methoxyethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]carbamate;7-[(1S)-1-methoxyethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-amine;7-[(1S)-1-methoxyethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridine-6-carboxylic acid;1-[7-[(1S)-1-methoxyethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]-3-[6-(tetrazol-1-yl)-5-(trifluoromethyl)-3-pyridinyl]propan-2-one;6-(tetrazol-1-yl)-5-(trifluoromethyl)pyridin-3-amine;2,2,2-trifluoroacetaldehyde
CID 161302500
1-(7-Acetyl-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]propan-2-one;1-(6-amino-2-methyl-[1,3]thiazolo[5,4-b]pyridin-7-yl)ethanone;1-[7-(1-hydroxyethyl)-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]propan-2-one;1-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]propan-2-one
CID 161449447
Bis(5-chloro-6-pyrazol-1-ylpyridin-3-amine);bis(1-(5-chloro-6-pyrazol-1-yl-3-pyridinyl)-3-(2-methyl-7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridin-6-yl)propan-2-one);tris(methyl 2-methyl-7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine-6-carboxylate);bis(2-methyl-7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine-6-carboxylic acid)
CID 159312435
Bis(5-chloro-6-pyrazol-1-ylpyridin-3-amine);bis(1-(5-chloro-6-pyrazol-1-yl-3-pyridinyl)-3-(2-methyl-7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridin-6-yl)propan-2-one);methane;tris(methyl 2-methyl-7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine-6-carboxylate);bis(2-methyl-7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine-6-carboxylic acid)
CID 161464549

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[7-[(1S)-1-methoxyethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]carbamate;7-[(1S)-1-methoxyethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-amine;7-[(1S)-1-methoxyethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridine-6-carboxylic acid;1-[7-[(1S)-1-methoxyethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]-3-[6-(tetrazol-1-yl)-5-(trifluoromethyl)-3-pyridinyl]propan-2-one;6-(tetrazol-1-yl)-5-(trifluoromethyl)pyridin-3-amine?
The IUPAC name of tert-butyl N-[7-[(1S)-1-methoxyethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]carbamate;7-[(1S)-1-methoxyethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-amine;7-[(1S)-1-methoxyethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridine-6-carboxylic acid;1-[7-[(1S)-1-methoxyethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]-3-[6-(tetrazol-1-yl)-5-(trifluoromethyl)-3-pyridinyl]propan-2-one;6-(tetrazol-1-yl)-5-(trifluoromethyl)pyridin-3-amine (CID 161207182) is tert-butyl N-[7-[(1S)-1-methoxyethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]carbamate;7-[(1S)-1-methoxyethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-amine;7-[(1S)-1-methoxyethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridine-6-carboxylic acid;1-[7-[(1S)-1-methoxyethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]-3-[6-(tetrazol-1-yl)-5-(trifluoromethyl)-3-pyridinyl]propan-2-one;6-(tetrazol-1-yl)-5-(trifluoromethyl)pyridin-3-amine.
What is the SMILES notation for tert-butyl N-[7-[(1S)-1-methoxyethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]carbamate;7-[(1S)-1-methoxyethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-amine;7-[(1S)-1-methoxyethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridine-6-carboxylic acid;1-[7-[(1S)-1-methoxyethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]-3-[6-(tetrazol-1-yl)-5-(trifluoromethyl)-3-pyridinyl]propan-2-one;6-(tetrazol-1-yl)-5-(trifluoromethyl)pyridin-3-amine?
The canonical SMILES for tert-butyl N-[7-[(1S)-1-methoxyethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]carbamate;7-[(1S)-1-methoxyethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-amine;7-[(1S)-1-methoxyethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridine-6-carboxylic acid;1-[7-[(1S)-1-methoxyethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]-3-[6-(tetrazol-1-yl)-5-(trifluoromethyl)-3-pyridinyl]propan-2-one;6-(tetrazol-1-yl)-5-(trifluoromethyl)pyridin-3-amine is CO[C@@H](C)c1c(C(=O)O)cnc2sc(C)nc12.CO[C@@H](C)c1c(CC(=O)Cc2cnc(-n3cnnn3)c(C(F)(F)F)c2)cnc2sc(C)nc12.CO[C@@H](C)c1c(N)cnc2sc(C)nc12.CO[C@@H](C)c1c(NC(=O)OC(C)(C)C)cnc2sc(C)nc12.Nc1cnc(-n2cnnn2)c(C(F)(F)F)c1.
What is the InChIKey of tert-butyl N-[7-[(1S)-1-methoxyethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]carbamate;7-[(1S)-1-methoxyethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-amine;7-[(1S)-1-methoxyethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridine-6-carboxylic acid;1-[7-[(1S)-1-methoxyethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]-3-[6-(tetrazol-1-yl)-5-(trifluoromethyl)-3-pyridinyl]propan-2-one;6-(tetrazol-1-yl)-5-(trifluoromethyl)pyridin-3-amine?
The InChIKey is UVTJLZMXMMLJCA-VQUUQSTCSA-N. The full InChI is InChI=1S/C20H18F3N7O2S.C15H21N3O3S.C11H12N2O3S.C10H13N3OS.C7H5F3N6/c1-10(32-3)16-13(8-25-19-17(16)27-11(2)33-19)6-14(31)4-12-5-15(20(21,22)23)18(24-7-12)30-9-26-28-29-30;1-8(20-6)11-10(18-14(19)21-15(3,4)5)7-16-13-12(11)17-9(2)22-13;1-5(16-3)8-7(11(14)15)4-12-10-9(8)13-6(2)17-10;1-5(14-3)8-7(11)4-12-10-9(8)13-6(2)15-10;8-7(9,10)5-1-4(11)2-12-6(5)16-3-13-14-15-16/h5,7-10H,4,6H2,1-3H3;7-8H,1-6H3,(H,18,19);4-5H,1-3H3,(H,14,15);4-5H,11H2,1-3H3;1-3H,11H2/t10-;8-;2*5-;/m0000./s1.
What are the key properties of tert-butyl N-[7-[(1S)-1-methoxyethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]carbamate;7-[(1S)-1-methoxyethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-amine;7-[(1S)-1-methoxyethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridine-6-carboxylic acid;1-[7-[(1S)-1-methoxyethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]-3-[6-(tetrazol-1-yl)-5-(trifluoromethyl)-3-pyridinyl]propan-2-one;6-(tetrazol-1-yl)-5-(trifluoromethyl)pyridin-3-amine?
tert-butyl N-[7-[(1S)-1-methoxyethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]carbamate;7-[(1S)-1-methoxyethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-amine;7-[(1S)-1-methoxyethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridine-6-carboxylic acid;1-[7-[(1S)-1-methoxyethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]-3-[6-(tetrazol-1-yl)-5-(trifluoromethyl)-3-pyridinyl]propan-2-one;6-(tetrazol-1-yl)-5-(trifluoromethyl)pyridin-3-amine has a molecular weight of 1506.64 g/mol, XLogP of 12.86, 16 rotatable bonds, 4 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[7-[(1S)-1-methoxyethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]carbamate;7-[(1S)-1-methoxyethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-amine;7-[(1S)-1-methoxyethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridine-6-carboxylic acid;1-[7-[(1S)-1-methoxyethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]-3-[6-(tetrazol-1-yl)-5-(trifluoromethyl)-3-pyridinyl]propan-2-one;6-(tetrazol-1-yl)-5-(trifluoromethyl)pyridin-3-amine is sourced from PubChem (CID 161207182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).