N-(1H-benzimidazol-2-yl)-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide

C19H16N4OS2 — CID 24624866

IUPACN-(1H-benzimidazol-2-yl)-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide
SMILESCc1nc(CSc2ccc(C(=O)Nc3nc4ccccc4[nH]3)cc2)cs1
InChIInChI=1S/C19H16N4OS2/c1-12-20-14(10-25-12)11-26-15-8-6-13(7-9-15)18(24)23-19-21-16-4-2-3-5-17(16)22-19/h2-10H,11H2,1H3,(H2,21,22,23,24)
InChIKeyGKHXDWWJPAKQPE-UHFFFAOYSA-N
MW380.50 g/mol
LogP4.87
Rot. Bonds5

About N-(1H-benzimidazol-2-yl)-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide

N-(1H-benzimidazol-2-yl)-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide (PubChem CID 24624866) has the molecular formula C19H16N4OS2 and a molecular weight of 380.50 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide
PubChem CID24624866
Molecular FormulaC19H16N4OS2
Molecular Weight380.50 g/mol
Exact Mass380.08
IUPAC NameN-(1H-benzimidazol-2-yl)-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide
SMILESCc1nc(CSc2ccc(C(=O)Nc3nc4ccccc4[nH]3)cc2)cs1
InChIInChI=1S/C19H16N4OS2/c1-12-20-14(10-25-12)11-26-15-8-6-13(7-9-15)18(24)23-19-21-16-4-2-3-5-17(16)22-19/h2-10H,11H2,1H3,(H2,21,22,23,24)
InChIKeyGKHXDWWJPAKQPE-UHFFFAOYSA-N
XLogP4.87
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.50
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzothiazol-2-yl)-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide
CID 24625322
N-(3,5-dimethylphenyl)-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide
CID 24624321
N-[2-(ethoxymethyl)phenyl]-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide
CID 86821843
N-[2-(1H-indol-3-yl)ethyl]-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide
CID 31065605
N-(2-methoxyethyl)-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide
CID 24624877
N-[4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]phenyl]acetamide
CID 4795879
4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-N-(2-phenoxyethyl)benzamide
CID 134024182
N-(1H-benzimidazol-2-yl)-4-[(dimethylamino)methyl]benzamide
CID 17429705
N-[2-methyl-5-(propanoylamino)phenyl]-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide
CID 46467205
N-[1-(2-methoxyphenyl)ethyl]-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide
CID 43042445
N-(1H-benzimidazol-2-yl)pyridine-4-carboxamide
CID 896334
2-[2-[[4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoyl]amino]ethylsulfanyl]acetic acid
CID 119241681

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide (CID 24624866) is N-(1H-benzimidazol-2-yl)-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide is Cc1nc(CSc2ccc(C(=O)Nc3nc4ccccc4[nH]3)cc2)cs1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide?
The InChIKey is GKHXDWWJPAKQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4OS2/c1-12-20-14(10-25-12)11-26-15-8-6-13(7-9-15)18(24)23-19-21-16-4-2-3-5-17(16)22-19/h2-10H,11H2,1H3,(H2,21,22,23,24).
What are the key properties of N-(1H-benzimidazol-2-yl)-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide?
N-(1H-benzimidazol-2-yl)-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide has a molecular weight of 380.50 g/mol, XLogP of 4.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzamide is sourced from PubChem (CID 24624866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).