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

C21H15N5OS2 — CID 44530870

IUPACN-[4-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)Nc1ccc(-c2ccc(-c3nc4ccccc4[nH]3)s2)cc1
InChIInChI=1S/C21H15N5OS2/c1-12-19(29-26-25-12)21(27)22-14-8-6-13(7-9-14)17-10-11-18(28-17)20-23-15-4-2-3-5-16(15)24-20/h2-11H,1H3,(H,22,27)(H,23,24)
InChIKeyPJVCZGSHBDAHHC-UHFFFAOYSA-N
MW417.52 g/mol
LogP5.37
Rot. Bonds4

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

N-[4-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-4-methylthiadiazole-5-carboxamide (PubChem CID 44530870) has the molecular formula C21H15N5OS2 and a molecular weight of 417.52 g/mol. Its IUPAC name is N-[4-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-4-methylthiadiazole-5-carboxamide
PubChem CID44530870
Molecular FormulaC21H15N5OS2
Molecular Weight417.52 g/mol
Exact Mass417.07
IUPAC NameN-[4-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)Nc1ccc(-c2ccc(-c3nc4ccccc4[nH]3)s2)cc1
InChIInChI=1S/C21H15N5OS2/c1-12-19(29-26-25-12)21(27)22-14-8-6-13(7-9-14)17-10-11-18(28-17)20-23-15-4-2-3-5-16(15)24-20/h2-11H,1H3,(H,22,27)(H,23,24)
InChIKeyPJVCZGSHBDAHHC-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

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CID 5342394
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CID 44523627
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CID 44523854
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CID 44523944
CID 44523944
CID 44525387
CID 44525387
CID 44525389
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CID 44525399
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CID 44530871
CID 44530871

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-[4-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-4-methylthiadiazole-5-carboxamide (CID 44530870) is N-[4-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[4-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-[4-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-4-methylthiadiazole-5-carboxamide is Cc1nnsc1C(=O)Nc1ccc(-c2ccc(-c3nc4ccccc4[nH]3)s2)cc1.
What is the InChIKey of N-[4-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-4-methylthiadiazole-5-carboxamide?
The InChIKey is PJVCZGSHBDAHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N5OS2/c1-12-19(29-26-25-12)21(27)22-14-8-6-13(7-9-14)17-10-11-18(28-17)20-23-15-4-2-3-5-16(15)24-20/h2-11H,1H3,(H,22,27)(H,23,24).
What are the key properties of N-[4-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-4-methylthiadiazole-5-carboxamide?
N-[4-[5-(1H-benzimidazol-2-yl)thiophen-2-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-[4-[5-(1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 44530870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).