N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-2-(methylamino)-[1,3]thiazolo[4,5-b]pyridine-6-carboxamide

C17H24N4O2S — CID 138688290

IUPACN-[4-(2-hydroxypropan-2-yl)cyclohexyl]-2-(methylamino)-[1,3]thiazolo[4,5-b]pyridine-6-carboxamide
SMILESCNc1nc2ncc(C(=O)NC3CCC(C(C)(C)O)CC3)cc2s1
InChIInChI=1S/C17H24N4O2S/c1-17(2,23)11-4-6-12(7-5-11)20-15(22)10-8-13-14(19-9-10)21-16(18-3)24-13/h8-9,11-12,23H,4-7H2,1-3H3,(H,20,22)(H,18,19,21)
InChIKeyMYQWNBOEBZLVEB-UHFFFAOYSA-N
MW348.47 g/mol
LogP2.79
Rot. Bonds4

About N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-2-(methylamino)-[1,3]thiazolo[4,5-b]pyridine-6-carboxamide

N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-2-(methylamino)-[1,3]thiazolo[4,5-b]pyridine-6-carboxamide (PubChem CID 138688290) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-2-(methylamino)-[1,3]thiazolo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[4-(2-hydroxypropan-2-yl)cyclohexyl]-2-(methylamino)-[1,3]thiazolo[4,5-b]pyridine-6-carboxamide
PubChem CID138688290
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC NameN-[4-(2-hydroxypropan-2-yl)cyclohexyl]-2-(methylamino)-[1,3]thiazolo[4,5-b]pyridine-6-carboxamide
SMILESCNc1nc2ncc(C(=O)NC3CCC(C(C)(C)O)CC3)cc2s1
InChIInChI=1S/C17H24N4O2S/c1-17(2,23)11-4-6-12(7-5-11)20-15(22)10-8-13-14(19-9-10)21-16(18-3)24-13/h8-9,11-12,23H,4-7H2,1-3H3,(H,20,22)(H,18,19,21)
InChIKeyMYQWNBOEBZLVEB-UHFFFAOYSA-N
XLogP2.79
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-2-(methylamino)-[1,3]thiazolo[4,5-b]pyridine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(dicyclopropylamino)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-[1,3]thiazolo[4,5-b]pyridine-6-carboxamide
CID 138688252
7-(dimethylamino)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]quinoline-3-carboxamide
CID 129247376
7-(3-fluoroazetidin-1-yl)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-1,8-naphthyridine-3-carboxamide
CID 137363100
8-chloro-7-hydroxy-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]quinoline-3-carboxamide
CID 137241065
6-chloro-7-(1,1-difluoroethyl)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]quinoline-3-carboxamide
CID 129247343
6-chloro-7-(2-fluoropropan-2-yl)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]quinoline-3-carboxamide
CID 129247336
6-chloro-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-7-(propan-2-ylamino)quinoline-3-carboxamide;molecular hydrogen
CID 159593542
N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-2-(1-methylimidazo[1,5-a]pyridin-3-yl)pyrimidine-5-carboxamide
CID 176791093
N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-5-methoxy-6-(3-methylindazol-1-yl)pyridine-3-carboxamide
CID 176790964
1-(3-fluorophenyl)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]indazole-5-carboxamide
CID 164625585
5-chloro-6-(methylamino)-N-(4-methylcyclohexyl)pyridine-3-carboxamide
CID 55042305
3-N-cyclopentyl-5-N-cyclopropylpyridine-3,5-dicarboxamide
CID 109101527

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-2-(methylamino)-[1,3]thiazolo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-2-(methylamino)-[1,3]thiazolo[4,5-b]pyridine-6-carboxamide (CID 138688290) is N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-2-(methylamino)-[1,3]thiazolo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-2-(methylamino)-[1,3]thiazolo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-2-(methylamino)-[1,3]thiazolo[4,5-b]pyridine-6-carboxamide is CNc1nc2ncc(C(=O)NC3CCC(C(C)(C)O)CC3)cc2s1.
What is the InChIKey of N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-2-(methylamino)-[1,3]thiazolo[4,5-b]pyridine-6-carboxamide?
The InChIKey is MYQWNBOEBZLVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S/c1-17(2,23)11-4-6-12(7-5-11)20-15(22)10-8-13-14(19-9-10)21-16(18-3)24-13/h8-9,11-12,23H,4-7H2,1-3H3,(H,20,22)(H,18,19,21).
What are the key properties of N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-2-(methylamino)-[1,3]thiazolo[4,5-b]pyridine-6-carboxamide?
N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-2-(methylamino)-[1,3]thiazolo[4,5-b]pyridine-6-carboxamide has a molecular weight of 348.47 g/mol, XLogP of 2.79, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-2-(methylamino)-[1,3]thiazolo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 138688290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).