4-methyl-N-[(4R)-1-(2-methyl-3H-benzimidazole-5-carbonyl)azepan-4-yl]-1,3-thiazole-5-carboxamide

C20H23N5O2S — CID 92634449

IUPAC4-methyl-N-[(4R)-1-(2-methyl-3H-benzimidazole-5-carbonyl)azepan-4-yl]-1,3-thiazole-5-carboxamide
SMILESCc1nc2ccc(C(=O)N3CCC[C@@H](NC(=O)c4scnc4C)CC3)cc2[nH]1
InChIInChI=1S/C20H23N5O2S/c1-12-18(28-11-21-12)19(26)24-15-4-3-8-25(9-7-15)20(27)14-5-6-16-17(10-14)23-13(2)22-16/h5-6,10-11,15H,3-4,7-9H2,1-2H3,(H,22,23)(H,24,26)/t15-/m1/s1
InChIKeyONRBRJDDWTYNGR-OAHLLOKOSA-N
MW397.50 g/mol
LogP3.06
Rot. Bonds3

About 4-methyl-N-[(4R)-1-(2-methyl-3H-benzimidazole-5-carbonyl)azepan-4-yl]-1,3-thiazole-5-carboxamide

4-methyl-N-[(4R)-1-(2-methyl-3H-benzimidazole-5-carbonyl)azepan-4-yl]-1,3-thiazole-5-carboxamide (PubChem CID 92634449) has the molecular formula C20H23N5O2S and a molecular weight of 397.50 g/mol. Its IUPAC name is 4-methyl-N-[(4R)-1-(2-methyl-3H-benzimidazole-5-carbonyl)azepan-4-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[(4R)-1-(2-methyl-3H-benzimidazole-5-carbonyl)azepan-4-yl]-1,3-thiazole-5-carboxamide
PubChem CID92634449
Molecular FormulaC20H23N5O2S
Molecular Weight397.50 g/mol
Exact Mass397.16
IUPAC Name4-methyl-N-[(4R)-1-(2-methyl-3H-benzimidazole-5-carbonyl)azepan-4-yl]-1,3-thiazole-5-carboxamide
SMILESCc1nc2ccc(C(=O)N3CCC[C@@H](NC(=O)c4scnc4C)CC3)cc2[nH]1
InChIInChI=1S/C20H23N5O2S/c1-12-18(28-11-21-12)19(26)24-15-4-3-8-25(9-7-15)20(27)14-5-6-16-17(10-14)23-13(2)22-16/h5-6,10-11,15H,3-4,7-9H2,1-2H3,(H,22,23)(H,24,26)/t15-/m1/s1
InChIKeyONRBRJDDWTYNGR-OAHLLOKOSA-N
XLogP3.06
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-methyl-N-[(4R)-1-(2-methyl-3H-benzimidazole-5-carbonyl)azepan-4-yl]-1,3-thiazole-5-carboxamide with MolForge

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Related Compounds

[4-(2-methyl-3H-benzimidazole-5-carbonyl)-1,4-diazepan-1-yl]-pyridin-4-ylmethanone
CID 110808603
4-(2-methyl-3H-benzimidazole-5-carbonyl)-N-propan-2-yl-1,4-diazepane-1-carboxamide
CID 110813696
2-[1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-3-yl]acetic acid
CID 110095906
(2-methyl-3H-benzimidazol-5-yl)-[4-(3-methylbenzoyl)piperazin-1-yl]methanone
CID 110802203
ethane;(2-methyl-3H-benzimidazol-5-yl)-(4-methylpiperazin-1-yl)methanone
CID 144710536
1-(2-methyl-3H-benzimidazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 110089596
(3R)-1-(2-methyl-3H-benzimidazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 125025602
3-methyl-1-(2-methyl-3H-benzimidazole-5-carbonyl)-N-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide
CID 155985492
4-methyl-N-[1-(2-methylsulfanylacetyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide
CID 49362488
(3-fluorophenyl)-[4-(2-methyl-3H-benzimidazole-5-carbonyl)piperazin-1-yl]methanone
CID 110802344
(2-methyl-3H-benzimidazol-5-yl)-[(3S)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone
CID 124996331
(2-methyl-3H-benzimidazol-5-yl)-[3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone
CID 127246184

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(4R)-1-(2-methyl-3H-benzimidazole-5-carbonyl)azepan-4-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[(4R)-1-(2-methyl-3H-benzimidazole-5-carbonyl)azepan-4-yl]-1,3-thiazole-5-carboxamide (CID 92634449) is 4-methyl-N-[(4R)-1-(2-methyl-3H-benzimidazole-5-carbonyl)azepan-4-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[(4R)-1-(2-methyl-3H-benzimidazole-5-carbonyl)azepan-4-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[(4R)-1-(2-methyl-3H-benzimidazole-5-carbonyl)azepan-4-yl]-1,3-thiazole-5-carboxamide is Cc1nc2ccc(C(=O)N3CCC[C@@H](NC(=O)c4scnc4C)CC3)cc2[nH]1.
What is the InChIKey of 4-methyl-N-[(4R)-1-(2-methyl-3H-benzimidazole-5-carbonyl)azepan-4-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is ONRBRJDDWTYNGR-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H23N5O2S/c1-12-18(28-11-21-12)19(26)24-15-4-3-8-25(9-7-15)20(27)14-5-6-16-17(10-14)23-13(2)22-16/h5-6,10-11,15H,3-4,7-9H2,1-2H3,(H,22,23)(H,24,26)/t15-/m1/s1.
What are the key properties of 4-methyl-N-[(4R)-1-(2-methyl-3H-benzimidazole-5-carbonyl)azepan-4-yl]-1,3-thiazole-5-carboxamide?
4-methyl-N-[(4R)-1-(2-methyl-3H-benzimidazole-5-carbonyl)azepan-4-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 397.50 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(4R)-1-(2-methyl-3H-benzimidazole-5-carbonyl)azepan-4-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 92634449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).