tert-butyl-[6-(4-methyl-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]carbamic acid

C17H18N4O2S — CID 155069538

IUPACtert-butyl-[6-(4-methyl-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]carbamic acid
SMILESCc1ccncc1-c1cnc2nc(N(C(=O)O)C(C)(C)C)sc2c1
InChIInChI=1S/C17H18N4O2S/c1-10-5-6-18-9-12(10)11-7-13-14(19-8-11)20-15(24-13)21(16(22)23)17(2,3)4/h5-9H,1-4H3,(H,22,23)
InChIKeyNSPSUSRGQDJXSO-UHFFFAOYSA-N
MW342.42 g/mol
LogP4.34
Rot. Bonds2

About tert-butyl-[6-(4-methyl-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]carbamic acid

tert-butyl-[6-(4-methyl-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]carbamic acid (PubChem CID 155069538) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is tert-butyl-[6-(4-methyl-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]carbamic acid.

Molecular Properties

Compound Nametert-butyl-[6-(4-methyl-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]carbamic acid
PubChem CID155069538
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Nametert-butyl-[6-(4-methyl-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]carbamic acid
SMILESCc1ccncc1-c1cnc2nc(N(C(=O)O)C(C)(C)C)sc2c1
InChIInChI=1S/C17H18N4O2S/c1-10-5-6-18-9-12(10)11-7-13-14(19-8-11)20-15(24-13)21(16(22)23)17(2,3)4/h5-9H,1-4H3,(H,22,23)
InChIKeyNSPSUSRGQDJXSO-UHFFFAOYSA-N
XLogP4.34
TPSA79.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl-[6-(4-methyl-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]carbamic acid with MolForge

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Related Compounds

cis-(1S,2S)-2-fluoro-N-[6-(4-methyl-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]cyclopropane-1-carboxamide
CID 138504770
(6-bromo-1,3-benzothiazol-2-yl)-tert-butylcarbamic acid
CID 137368415
cis-(1S,2S)-2-fluoro-N-methyl-N-[6-(4-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide
CID 138504710
trans-(1R,2R)-2-hydroxy-N-[6-(4-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide
CID 138513937
3-(3,5-dimethylphenyl)-4-methylpyridine
CID 102097764
3-(4-ethylphenyl)-4-methylpyridine
CID 121385790
N-tert-butyl-3-(4-ethylphenyl)-5-(4-methyl-3-pyridinyl)benzamide
CID 138636702
cis-(1R,2R)-2-fluoro-N-[6-(4-methyl-3-pyridinyl)-1,3-benzothiazol-2-yl]cyclopropane-1-carboxamide
CID 138513826
1-[5-[2-[5-(4-methyl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]thiophen-2-yl]ethanone
CID 137311198
2-methyl-4-(4-methyl-3-pyridinyl)phenol
CID 83130962
3-[3-[4-[3,5-bis(4-methyl-3-pyridinyl)phenyl]-2,5-diphenylphenyl]-5-(4-methyl-3-pyridinyl)phenyl]-4-methylpyridine
CID 59609405
2-amino-2-(4-methyl-3-pyridinyl)propanoic acid
CID 55292841

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[6-(4-methyl-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]carbamic acid?
The IUPAC name of tert-butyl-[6-(4-methyl-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]carbamic acid (CID 155069538) is tert-butyl-[6-(4-methyl-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]carbamic acid.
What is the SMILES notation for tert-butyl-[6-(4-methyl-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]carbamic acid?
The canonical SMILES for tert-butyl-[6-(4-methyl-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]carbamic acid is Cc1ccncc1-c1cnc2nc(N(C(=O)O)C(C)(C)C)sc2c1.
What is the InChIKey of tert-butyl-[6-(4-methyl-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]carbamic acid?
The InChIKey is NSPSUSRGQDJXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S/c1-10-5-6-18-9-12(10)11-7-13-14(19-8-11)20-15(24-13)21(16(22)23)17(2,3)4/h5-9H,1-4H3,(H,22,23).
What are the key properties of tert-butyl-[6-(4-methyl-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]carbamic acid?
tert-butyl-[6-(4-methyl-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]carbamic acid has a molecular weight of 342.42 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[6-(4-methyl-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]carbamic acid is sourced from PubChem (CID 155069538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).