N-[5-methyl-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]-3H-benzimidazole-5-carboxamide

C21H17N5O2S — CID 167964916

IUPACN-[5-methyl-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]-3H-benzimidazole-5-carboxamide
SMILESCc1sc(NC(=O)c2ccc3nc[nH]c3c2)nc1-c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C21H17N5O2S/c1-11-19(13-2-5-15-12(8-13)4-7-18(27)24-15)25-21(29-11)26-20(28)14-3-6-16-17(9-14)23-10-22-16/h2-3,5-6,8-10H,4,7H2,1H3,(H,22,23)(H,24,27)(H,25,26,28)
InChIKeyOTYPZBLEWPTDIQ-UHFFFAOYSA-N
MW403.47 g/mol
LogP4.13
Rot. Bonds3

About N-[5-methyl-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]-3H-benzimidazole-5-carboxamide

N-[5-methyl-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]-3H-benzimidazole-5-carboxamide (PubChem CID 167964916) has the molecular formula C21H17N5O2S and a molecular weight of 403.47 g/mol. Its IUPAC name is N-[5-methyl-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[5-methyl-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]-3H-benzimidazole-5-carboxamide
PubChem CID167964916
Molecular FormulaC21H17N5O2S
Molecular Weight403.47 g/mol
Exact Mass403.11
IUPAC NameN-[5-methyl-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]-3H-benzimidazole-5-carboxamide
SMILESCc1sc(NC(=O)c2ccc3nc[nH]c3c2)nc1-c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C21H17N5O2S/c1-11-19(13-2-5-15-12(8-13)4-7-18(27)24-15)25-21(29-11)26-20(28)14-3-6-16-17(9-14)23-10-22-16/h2-3,5-6,8-10H,4,7H2,1H3,(H,22,23)(H,24,27)(H,25,26,28)
InChIKeyOTYPZBLEWPTDIQ-UHFFFAOYSA-N
XLogP4.13
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.47
LogP ≤ 54.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[5-methyl-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]-3H-benzimidazole-5-carboxamide with MolForge

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Related Compounds

N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3H-benzimidazole-5-carboxamide
CID 17433529
(2S,5R)-2-N-[5-methyl-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]oxolane-2,5-dicarboxamide
CID 146147638
2-(4-methyl-1H-indol-3-yl)-N-[5-methyl-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]acetamide
CID 166217461
N-(5-methyl-1,3,4-thiadiazol-2-yl)-3H-benzimidazole-5-carboxamide
CID 17421337
N-[5-methyl-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]-10-oxopentacyclo[5.3.0.02,5.03,9.04,8]decane-3-carboxamide
CID 167906615
N-[5-(2,4-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 48599164
N-[4-(3-chloro-4-methylphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 2809893
4-fluoro-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 880470
N-(6-methyl-3-oxo-4H-1,4-benzoxazin-8-yl)-3H-benzimidazole-5-carboxamide
CID 110744803
ethyl 2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carbonyl)amino]-1,3-benzothiazole-6-carboxylate
CID 108808945
4-methyl-2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carbonyl)amino]-N-phenyl-1,3-thiazole-5-carboxamide
CID 108784552
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
CID 108797692

Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-[5-methyl-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]-3H-benzimidazole-5-carboxamide (CID 167964916) is N-[5-methyl-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-[5-methyl-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-[5-methyl-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]-3H-benzimidazole-5-carboxamide is Cc1sc(NC(=O)c2ccc3nc[nH]c3c2)nc1-c1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of N-[5-methyl-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]-3H-benzimidazole-5-carboxamide?
The InChIKey is OTYPZBLEWPTDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O2S/c1-11-19(13-2-5-15-12(8-13)4-7-18(27)24-15)25-21(29-11)26-20(28)14-3-6-16-17(9-14)23-10-22-16/h2-3,5-6,8-10H,4,7H2,1H3,(H,22,23)(H,24,27)(H,25,26,28).
What are the key properties of N-[5-methyl-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]-3H-benzimidazole-5-carboxamide?
N-[5-methyl-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]-3H-benzimidazole-5-carboxamide has a molecular weight of 403.47 g/mol, XLogP of 4.13, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 167964916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).