4-(4-aminoimidazo[4,5-c]pyridin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)cyclohexane-1-carboxamide

C17H20N6OS — CID 134214830

IUPAC4-(4-aminoimidazo[4,5-c]pyridin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)cyclohexane-1-carboxamide
SMILESCc1csc(NC(=O)C2CCC(n3cnc4c(N)nccc43)CC2)n1
InChIInChI=1S/C17H20N6OS/c1-10-8-25-17(21-10)22-16(24)11-2-4-12(5-3-11)23-9-20-14-13(23)6-7-19-15(14)18/h6-9,11-12H,2-5H2,1H3,(H2,18,19)(H,21,22,24)
InChIKeyFWVWOPUVKJZEGI-UHFFFAOYSA-N
MW356.46 g/mol
LogP3.15
Rot. Bonds3

About 4-(4-aminoimidazo[4,5-c]pyridin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)cyclohexane-1-carboxamide

4-(4-aminoimidazo[4,5-c]pyridin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)cyclohexane-1-carboxamide (PubChem CID 134214830) has the molecular formula C17H20N6OS and a molecular weight of 356.46 g/mol. Its IUPAC name is 4-(4-aminoimidazo[4,5-c]pyridin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(4-aminoimidazo[4,5-c]pyridin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)cyclohexane-1-carboxamide
PubChem CID134214830
Molecular FormulaC17H20N6OS
Molecular Weight356.46 g/mol
Exact Mass356.14
IUPAC Name4-(4-aminoimidazo[4,5-c]pyridin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)cyclohexane-1-carboxamide
SMILESCc1csc(NC(=O)C2CCC(n3cnc4c(N)nccc43)CC2)n1
InChIInChI=1S/C17H20N6OS/c1-10-8-25-17(21-10)22-16(24)11-2-4-12(5-3-11)23-9-20-14-13(23)6-7-19-15(14)18/h6-9,11-12H,2-5H2,1H3,(H2,18,19)(H,21,22,24)
InChIKeyFWVWOPUVKJZEGI-UHFFFAOYSA-N
XLogP3.15
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-(6-amino-2-pyridin-4-ylpurin-9-yl)-N-(4-methyl-1,3-thiazol-2-yl)cyclohexane-1-carboxamide
CID 134214734
4-(6-amino-2-iodopurin-9-yl)-N-(4-methyl-1,3-thiazol-2-yl)cyclohexane-1-carboxamide
CID 134208785
ethane;N-(4-methyl-1,3-thiazol-2-yl)cyclohexanecarboxamide
CID 143608697
4-(cyclopropanecarbonylamino)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 17361667
3-amino-N-(4-methyl-1,3-thiazol-2-yl)pyrazine-2-carboxamide
CID 18138823
trans-(1S,3S)-1-N,3-N-bis(4-methyl-1,3-thiazol-2-yl)cyclohexane-1,3-dicarboxamide
CID 52526965
N-(4-methyl-1,3-thiazol-2-yl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-3-carboxamide
CID 90573570
4-(6-aminopurin-9-yl)-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 166634318
2-(4-imidazo[4,5-b]pyridin-3-ylpiperidin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 46958754
2-amino-N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 62060816
4-(6-amino-2-chloropurin-9-yl)-N-(6-chloro-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide
CID 134208792
9-amino-N-(4-methyl-1,3-thiazol-2-yl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120984385

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminoimidazo[4,5-c]pyridin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)cyclohexane-1-carboxamide?
The IUPAC name of 4-(4-aminoimidazo[4,5-c]pyridin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)cyclohexane-1-carboxamide (CID 134214830) is 4-(4-aminoimidazo[4,5-c]pyridin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(4-aminoimidazo[4,5-c]pyridin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-(4-aminoimidazo[4,5-c]pyridin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)cyclohexane-1-carboxamide is Cc1csc(NC(=O)C2CCC(n3cnc4c(N)nccc43)CC2)n1.
What is the InChIKey of 4-(4-aminoimidazo[4,5-c]pyridin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)cyclohexane-1-carboxamide?
The InChIKey is FWVWOPUVKJZEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6OS/c1-10-8-25-17(21-10)22-16(24)11-2-4-12(5-3-11)23-9-20-14-13(23)6-7-19-15(14)18/h6-9,11-12H,2-5H2,1H3,(H2,18,19)(H,21,22,24).
What are the key properties of 4-(4-aminoimidazo[4,5-c]pyridin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)cyclohexane-1-carboxamide?
4-(4-aminoimidazo[4,5-c]pyridin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)cyclohexane-1-carboxamide has a molecular weight of 356.46 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminoimidazo[4,5-c]pyridin-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 134214830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).