7-[1-(dimethylamino)ethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-amine;1-[7-[1-(dimethylamino)ethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]propan-2-one;6-(triazol-2-yl)-5-(trifluoromethyl)pyridin-3-amine

C41H44F6N16OS2 — CID 157339520

IUPAC7-[1-(dimethylamino)ethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-amine;1-[7-[1-(dimethylamino)ethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]propan-2-one;6-(triazol-2-yl)-5-(trifluoromethyl)pyridin-3-amine
SMILESCc1nc2c(C(C)N(C)C)c(CC(=O)Cc3cnc(-n4nccn4)c(C(F)(F)F)c3)cnc2s1.Cc1nc2c(C(C)N(C)C)c(N)cnc2s1.Nc1cnc(-n2nccn2)c(C(F)(F)F)c1
InChIInChI=1S/C22H22F3N7OS.C11H16N4S.C8H6F3N5/c1-12(31(3)4)18-15(11-27-21-19(18)30-13(2)34-21)9-16(33)7-14-8-17(22(23,24)25)20(26-10-14)32-28-5-6-29-32;1-6(15(3)4)9-8(12)5-13-11-10(9)14-7(2)16-11;9-8(10,11)6-3-5(12)4-13-7(6)16-14-1-2-15-16/h5-6,8,10-12H,7,9H2,1-4H3;5-6H,12H2,1-4H3;1-4H,12H2
InChIKeyBGFSTEILOHOMFR-UHFFFAOYSA-N
MW955.04 g/mol
LogP7.44
Rot. Bonds10

About 7-[1-(dimethylamino)ethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-amine;1-[7-[1-(dimethylamino)ethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]propan-2-one;6-(triazol-2-yl)-5-(trifluoromethyl)pyridin-3-amine

7-[1-(dimethylamino)ethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-amine;1-[7-[1-(dimethylamino)ethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]propan-2-one;6-(triazol-2-yl)-5-(trifluoromethyl)pyridin-3-amine (PubChem CID 157339520) has the molecular formula C41H44F6N16OS2 and a molecular weight of 955.04 g/mol. Its IUPAC name is 7-[1-(dimethylamino)ethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-amine;1-[7-[1-(dimethylamino)ethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]propan-2-one;6-(triazol-2-yl)-5-(trifluoromethyl)pyridin-3-amine.

Molecular Properties

Compound Name7-[1-(dimethylamino)ethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-amine;1-[7-[1-(dimethylamino)ethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]propan-2-one;6-(triazol-2-yl)-5-(trifluoromethyl)pyridin-3-amine
PubChem CID157339520
Molecular FormulaC41H44F6N16OS2
Molecular Weight955.04 g/mol
Exact Mass954.32
IUPAC Name7-[1-(dimethylamino)ethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-amine;1-[7-[1-(dimethylamino)ethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]propan-2-one;6-(triazol-2-yl)-5-(trifluoromethyl)pyridin-3-amine
SMILESCc1nc2c(C(C)N(C)C)c(CC(=O)Cc3cnc(-n4nccn4)c(C(F)(F)F)c3)cnc2s1.Cc1nc2c(C(C)N(C)C)c(N)cnc2s1.Nc1cnc(-n2nccn2)c(C(F)(F)F)c1
InChIInChI=1S/C22H22F3N7OS.C11H16N4S.C8H6F3N5/c1-12(31(3)4)18-15(11-27-21-19(18)30-13(2)34-21)9-16(33)7-14-8-17(22(23,24)25)20(26-10-14)32-28-5-6-29-32;1-6(15(3)4)9-8(12)5-13-11-10(9)14-7(2)16-11;9-8(10,11)6-3-5(12)4-13-7(6)16-14-1-2-15-16/h5-6,8,10-12H,7,9H2,1-4H3;5-6H,12H2,1-4H3;1-4H,12H2
InChIKeyBGFSTEILOHOMFR-UHFFFAOYSA-N
XLogP7.44
TPSA214.35 Ų
H-Bond Donors2
H-Bond Acceptors19
Rotatable Bonds10
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500955.04
LogP ≤ 57.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1019

Analyze 7-[1-(dimethylamino)ethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-amine;1-[7-[1-(dimethylamino)ethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]propan-2-one;6-(triazol-2-yl)-5-(trifluoromethyl)pyridin-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[1-(dimethylamino)ethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-amine;1-[7-[1-(dimethylamino)ethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]propan-2-one;6-(triazol-2-yl)-5-(trifluoromethyl)pyridin-3-amine?
The IUPAC name of 7-[1-(dimethylamino)ethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-amine;1-[7-[1-(dimethylamino)ethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]propan-2-one;6-(triazol-2-yl)-5-(trifluoromethyl)pyridin-3-amine (CID 157339520) is 7-[1-(dimethylamino)ethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-amine;1-[7-[1-(dimethylamino)ethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]propan-2-one;6-(triazol-2-yl)-5-(trifluoromethyl)pyridin-3-amine.
What is the SMILES notation for 7-[1-(dimethylamino)ethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-amine;1-[7-[1-(dimethylamino)ethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]propan-2-one;6-(triazol-2-yl)-5-(trifluoromethyl)pyridin-3-amine?
The canonical SMILES for 7-[1-(dimethylamino)ethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-amine;1-[7-[1-(dimethylamino)ethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]propan-2-one;6-(triazol-2-yl)-5-(trifluoromethyl)pyridin-3-amine is Cc1nc2c(C(C)N(C)C)c(CC(=O)Cc3cnc(-n4nccn4)c(C(F)(F)F)c3)cnc2s1.Cc1nc2c(C(C)N(C)C)c(N)cnc2s1.Nc1cnc(-n2nccn2)c(C(F)(F)F)c1.
What is the InChIKey of 7-[1-(dimethylamino)ethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-amine;1-[7-[1-(dimethylamino)ethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]propan-2-one;6-(triazol-2-yl)-5-(trifluoromethyl)pyridin-3-amine?
The InChIKey is BGFSTEILOHOMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3N7OS.C11H16N4S.C8H6F3N5/c1-12(31(3)4)18-15(11-27-21-19(18)30-13(2)34-21)9-16(33)7-14-8-17(22(23,24)25)20(26-10-14)32-28-5-6-29-32;1-6(15(3)4)9-8(12)5-13-11-10(9)14-7(2)16-11;9-8(10,11)6-3-5(12)4-13-7(6)16-14-1-2-15-16/h5-6,8,10-12H,7,9H2,1-4H3;5-6H,12H2,1-4H3;1-4H,12H2.
What are the key properties of 7-[1-(dimethylamino)ethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-amine;1-[7-[1-(dimethylamino)ethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]propan-2-one;6-(triazol-2-yl)-5-(trifluoromethyl)pyridin-3-amine?
7-[1-(dimethylamino)ethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-amine;1-[7-[1-(dimethylamino)ethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]propan-2-one;6-(triazol-2-yl)-5-(trifluoromethyl)pyridin-3-amine has a molecular weight of 955.04 g/mol, XLogP of 7.44, 10 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-(dimethylamino)ethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-amine;1-[7-[1-(dimethylamino)ethyl]-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl]-3-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]propan-2-one;6-(triazol-2-yl)-5-(trifluoromethyl)pyridin-3-amine is sourced from PubChem (CID 157339520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).