N-[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]-4-methylthiadiazole-5-carboxamide

C21H15N5OS2 — CID 44523944

IUPACN-[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)Nc1cccc(-c2csc(-c3nc4ccccc4[nH]3)c2)c1
InChIInChI=1S/C21H15N5OS2/c1-12-19(29-26-25-12)21(27)22-15-6-4-5-13(9-15)14-10-18(28-11-14)20-23-16-7-2-3-8-17(16)24-20/h2-11H,1H3,(H,22,27)(H,23,24)
InChIKeyXYKYTFONSCZTMY-UHFFFAOYSA-N
MW417.52 g/mol
LogP5.37
Rot. Bonds4

About N-[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]-4-methylthiadiazole-5-carboxamide

N-[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]-4-methylthiadiazole-5-carboxamide (PubChem CID 44523944) has the molecular formula C21H15N5OS2 and a molecular weight of 417.52 g/mol. Its IUPAC name is N-[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]-4-methylthiadiazole-5-carboxamide
PubChem CID44523944
Molecular FormulaC21H15N5OS2
Molecular Weight417.52 g/mol
Exact Mass417.07
IUPAC NameN-[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)Nc1cccc(-c2csc(-c3nc4ccccc4[nH]3)c2)c1
InChIInChI=1S/C21H15N5OS2/c1-12-19(29-26-25-12)21(27)22-15-6-4-5-13(9-15)14-10-18(28-11-14)20-23-16-7-2-3-8-17(16)24-20/h2-11H,1H3,(H,22,27)(H,23,24)
InChIKeyXYKYTFONSCZTMY-UHFFFAOYSA-N
XLogP5.37
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.52
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[6-(thiophene-2-carbonylamino)-1H-benzimidazol-2-yl]phenyl]thiophene-2-carboxamide
CID 1160447
2-(4,4,6,6-Tetramethyl-5,6-dihydro-4H-thieno[3,4-c]pyrrol-3-yl)-1H-benzimidazole-4-carboxylic Acid Amide
CID 11739323
N-[4-(5-methyl-1H-benzimidazol-2-yl)phenyl]-2-(2-thienyl)acetamide
CID 839597
N-[3-(1H-benzimidazol-2-yl)phenyl]-2-thiophen-2-ylacetamide
CID 889712
N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-3-methylthiophene-2-carboxamide
CID 4554103
N-[1-(1H-Benzoimidazol-2-yl)-2-thiophen-2-yl-vinyl]-benzamide
CID 5342394
N-[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]-4-[2-(methylamino)-2-oxoethyl]benzamide
CID 44523945
N-[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]-3-methylimidazole-4-carboxamide
CID 44523946
3-acetamido-N-[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]-4-methylbenzamide
CID 44523947
3-acetamido-N-[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]benzamide
CID 44523948
3-N-[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]benzene-1,3-dicarboxamide
CID 44523949
4-N-[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]benzene-1,4-dicarboxamide
CID 44523950

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]-4-methylthiadiazole-5-carboxamide (CID 44523944) is N-[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]-4-methylthiadiazole-5-carboxamide is Cc1nnsc1C(=O)Nc1cccc(-c2csc(-c3nc4ccccc4[nH]3)c2)c1.
What is the InChIKey of N-[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]-4-methylthiadiazole-5-carboxamide?
The InChIKey is XYKYTFONSCZTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N5OS2/c1-12-19(29-26-25-12)21(27)22-15-6-4-5-13(9-15)14-10-18(28-11-14)20-23-16-7-2-3-8-17(16)24-20/h2-11H,1H3,(H,22,27)(H,23,24).
What are the key properties of N-[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]-4-methylthiadiazole-5-carboxamide?
N-[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]-4-methylthiadiazole-5-carboxamide has a molecular weight of 417.52 g/mol, XLogP of 5.37, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(1H-benzimidazol-2-yl)thiophen-3-yl]phenyl]-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 44523944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).