N-(5-benzyl-1,3-thiazol-2-yl)-1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide

C21H25N5OS — CID 126775756

IUPACN-(5-benzyl-1,3-thiazol-2-yl)-1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide
SMILESCC(C)c1nc2c(n1C)CCN(C(=O)Nc1ncc(Cc3ccccc3)s1)C2
InChIInChI=1S/C21H25N5OS/c1-14(2)19-23-17-13-26(10-9-18(17)25(19)3)21(27)24-20-22-12-16(28-20)11-15-7-5-4-6-8-15/h4-8,12,14H,9-11,13H2,1-3H3,(H,22,24,27)
InChIKeyOAWZPEWHVCABDH-UHFFFAOYSA-N
MW395.53 g/mol
LogP4.18
Rot. Bonds4

About N-(5-benzyl-1,3-thiazol-2-yl)-1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide

N-(5-benzyl-1,3-thiazol-2-yl)-1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide (PubChem CID 126775756) has the molecular formula C21H25N5OS and a molecular weight of 395.53 g/mol. Its IUPAC name is N-(5-benzyl-1,3-thiazol-2-yl)-1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(5-benzyl-1,3-thiazol-2-yl)-1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide
PubChem CID126775756
Molecular FormulaC21H25N5OS
Molecular Weight395.53 g/mol
Exact Mass395.18
IUPAC NameN-(5-benzyl-1,3-thiazol-2-yl)-1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide
SMILESCC(C)c1nc2c(n1C)CCN(C(=O)Nc1ncc(Cc3ccccc3)s1)C2
InChIInChI=1S/C21H25N5OS/c1-14(2)19-23-17-13-26(10-9-18(17)25(19)3)21(27)24-20-22-12-16(28-20)11-15-7-5-4-6-8-15/h4-8,12,14H,9-11,13H2,1-3H3,(H,22,24,27)
InChIKeyOAWZPEWHVCABDH-UHFFFAOYSA-N
XLogP4.18
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-benzyl-1,3-thiazol-2-yl)-3-methylpiperidine-1-carboxamide
CID 126770563
N-(5-benzyl-1,3-thiazol-2-yl)-2-(2-propan-2-ylimidazol-1-yl)propanamide
CID 46968486
N-(5-benzyl-1,3-thiazol-2-yl)-3-hydroxypiperidine-1-carboxamide
CID 126767380
1-acetyl-N-(5-benzyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 18130138
(2S)-2-amino-N-(5-benzyl-1,3-thiazol-2-yl)-3-methylbutanamide
CID 119270246
N-(5-benzyl-1,3-thiazol-2-yl)-4-cyclopentyl-1,4-diazepane-1-carboxamide
CID 126766658
N-(5-benzyl-1,3-thiazol-2-yl)-2-phenoxypropanamide
CID 2988067
1-methyl-N-[5-methyl-1-(4-methylphenyl)pyrazol-3-yl]-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide
CID 126778339
(3S,4S)-1-[(5-benzyl-1,3-thiazol-2-yl)carbamoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122074524
4-amino-N-(5-benzyl-1,3-thiazol-2-yl)pentanamide;hydrochloride
CID 120559194
N-(5-benzyl-1,3-thiazol-2-yl)-2-phenylbutanamide
CID 58033083
3-(4-methoxyphenyl)-1-(1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)propan-1-one
CID 126787824

Frequently Asked Questions

What is the IUPAC name of N-(5-benzyl-1,3-thiazol-2-yl)-1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide?
The IUPAC name of N-(5-benzyl-1,3-thiazol-2-yl)-1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide (CID 126775756) is N-(5-benzyl-1,3-thiazol-2-yl)-1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide.
What is the SMILES notation for N-(5-benzyl-1,3-thiazol-2-yl)-1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide?
The canonical SMILES for N-(5-benzyl-1,3-thiazol-2-yl)-1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide is CC(C)c1nc2c(n1C)CCN(C(=O)Nc1ncc(Cc3ccccc3)s1)C2.
What is the InChIKey of N-(5-benzyl-1,3-thiazol-2-yl)-1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide?
The InChIKey is OAWZPEWHVCABDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5OS/c1-14(2)19-23-17-13-26(10-9-18(17)25(19)3)21(27)24-20-22-12-16(28-20)11-15-7-5-4-6-8-15/h4-8,12,14H,9-11,13H2,1-3H3,(H,22,24,27).
What are the key properties of N-(5-benzyl-1,3-thiazol-2-yl)-1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide?
N-(5-benzyl-1,3-thiazol-2-yl)-1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide has a molecular weight of 395.53 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzyl-1,3-thiazol-2-yl)-1-methyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxamide is sourced from PubChem (CID 126775756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).