3-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide

C18H15N5OS — CID 75499926

IUPAC3-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide
SMILESCn1cnc2cc(C(=O)NCc3csc(-c4ccccc4)n3)cnc21
InChIInChI=1S/C18H15N5OS/c1-23-11-21-15-7-13(8-19-16(15)23)17(24)20-9-14-10-25-18(22-14)12-5-3-2-4-6-12/h2-8,10-11H,9H2,1H3,(H,20,24)
InChIKeyPSEXEIVHKCJNOY-UHFFFAOYSA-N
MW349.42 g/mol
LogP3.02
Rot. Bonds4

About 3-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide

3-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 75499926) has the molecular formula C18H15N5OS and a molecular weight of 349.42 g/mol. Its IUPAC name is 3-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide
PubChem CID75499926
Molecular FormulaC18H15N5OS
Molecular Weight349.42 g/mol
Exact Mass349.10
IUPAC Name3-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide
SMILESCn1cnc2cc(C(=O)NCc3csc(-c4ccccc4)n3)cnc21
InChIInChI=1S/C18H15N5OS/c1-23-11-21-15-7-13(8-19-16(15)23)17(24)20-9-14-10-25-18(22-14)12-5-3-2-4-6-12/h2-8,10-11H,9H2,1H3,(H,20,24)
InChIKeyPSEXEIVHKCJNOY-UHFFFAOYSA-N
XLogP3.02
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide
CID 35534129
3-methyl-N-(4-phenyl-1,3-thiazol-2-yl)imidazo[4,5-b]pyridine-6-carboxamide
CID 75451095
5-bromo-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
CID 24632147
N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
CID 17164666
4-ethoxy-3-methoxy-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]benzamide
CID 86915402
N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrazine-2-carboxamide
CID 17164693
3-methyl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 176501294
N-[[2-(cyclopropylamino)-4-pyridinyl]methyl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide
CID 75524263
3-cyano-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]benzamide
CID 34072489
3-nitro-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]benzamide
CID 17163934
N-[(4-ethoxy-3-methylphenyl)methyl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide
CID 75499936
N-[(2-phenyl-1,3-thiazol-4-yl)methyl]furan-2-carboxamide
CID 2997523

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of 3-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide (CID 75499926) is 3-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for 3-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for 3-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide is Cn1cnc2cc(C(=O)NCc3csc(-c4ccccc4)n3)cnc21.
What is the InChIKey of 3-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is PSEXEIVHKCJNOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5OS/c1-23-11-21-15-7-13(8-19-16(15)23)17(24)20-9-14-10-25-18(22-14)12-5-3-2-4-6-12/h2-8,10-11H,9H2,1H3,(H,20,24).
What are the key properties of 3-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide?
3-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 349.42 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 75499926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).