N-[5-[2-(furan-2-yl)ethenyl]-1,3,4-thiadiazol-2-yl]-3H-benzimidazole-5-carboxamide

C16H11N5O2S — CID 91943716

IUPACN-[5-[2-(furan-2-yl)ethenyl]-1,3,4-thiadiazol-2-yl]-3H-benzimidazole-5-carboxamide
SMILESO=C(Nc1nnc(C=Cc2ccco2)s1)c1ccc2nc[nH]c2c1
InChIInChI=1S/C16H11N5O2S/c22-15(10-3-5-12-13(8-10)18-9-17-12)19-16-21-20-14(24-16)6-4-11-2-1-7-23-11/h1-9H,(H,17,18)(H,19,21,22)
InChIKeyDPPRNSXTYYXPNP-UHFFFAOYSA-N
MW337.36 g/mol
LogP3.43
Rot. Bonds4

About N-[5-[2-(furan-2-yl)ethenyl]-1,3,4-thiadiazol-2-yl]-3H-benzimidazole-5-carboxamide

N-[5-[2-(furan-2-yl)ethenyl]-1,3,4-thiadiazol-2-yl]-3H-benzimidazole-5-carboxamide (PubChem CID 91943716) has the molecular formula C16H11N5O2S and a molecular weight of 337.36 g/mol. Its IUPAC name is N-[5-[2-(furan-2-yl)ethenyl]-1,3,4-thiadiazol-2-yl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[5-[2-(furan-2-yl)ethenyl]-1,3,4-thiadiazol-2-yl]-3H-benzimidazole-5-carboxamide
PubChem CID91943716
Molecular FormulaC16H11N5O2S
Molecular Weight337.36 g/mol
Exact Mass337.06
IUPAC NameN-[5-[2-(furan-2-yl)ethenyl]-1,3,4-thiadiazol-2-yl]-3H-benzimidazole-5-carboxamide
SMILESO=C(Nc1nnc(C=Cc2ccco2)s1)c1ccc2nc[nH]c2c1
InChIInChI=1S/C16H11N5O2S/c22-15(10-3-5-12-13(8-10)18-9-17-12)19-16-21-20-14(24-16)6-4-11-2-1-7-23-11/h1-9H,(H,17,18)(H,19,21,22)
InChIKeyDPPRNSXTYYXPNP-UHFFFAOYSA-N
XLogP3.43
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.36
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-methyl-1,3,4-thiadiazol-2-yl)-3H-benzimidazole-5-carboxamide
CID 17421337
3-ethoxy-N-[5-[(E)-2-(furan-2-yl)ethenyl]-1,3,4-thiadiazol-2-yl]-4-(pyridin-4-ylmethoxy)benzamide
CID 75395390
molecular hydrogen;N-(1,3,4-thiadiazol-2-yl)-3H-benzimidazole-5-carboxamide
CID 165120783
N-(5-butyl-1,3,4-thiadiazol-2-yl)-3H-benzimidazole-5-carboxamide
CID 17421339
N-[5-[2-(furan-2-yl)ethenyl]-1,3,4-thiadiazol-2-yl]bicyclo[4.1.0]heptane-7-carboxamide
CID 136518790
N-[4-[4-(3H-benzimidazole-5-carbonylamino)anilino]phenyl]-3H-benzimidazole-5-carboxamide
CID 67686736
N-quinoxalin-6-yl-3H-benzimidazole-5-carboxamide
CID 110743788
N-(3-carbamoylphenyl)-3H-benzimidazole-5-carboxamide
CID 60630265
N-(4-hydroxyphenyl)-3H-benzimidazole-5-carboxamide
CID 28739583
3,4-dichloro-N-[5-[(E)-2-phenylethenyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 5289843
N-[(2-methylpropan-2-yl)oxy]-3H-benzimidazole-5-carboxamide
CID 82725393
N-[(5-methylthiophen-2-yl)methyl]-3H-benzimidazole-5-carboxamide
CID 47288761

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(furan-2-yl)ethenyl]-1,3,4-thiadiazol-2-yl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-[5-[2-(furan-2-yl)ethenyl]-1,3,4-thiadiazol-2-yl]-3H-benzimidazole-5-carboxamide (CID 91943716) is N-[5-[2-(furan-2-yl)ethenyl]-1,3,4-thiadiazol-2-yl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-[5-[2-(furan-2-yl)ethenyl]-1,3,4-thiadiazol-2-yl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-[5-[2-(furan-2-yl)ethenyl]-1,3,4-thiadiazol-2-yl]-3H-benzimidazole-5-carboxamide is O=C(Nc1nnc(C=Cc2ccco2)s1)c1ccc2nc[nH]c2c1.
What is the InChIKey of N-[5-[2-(furan-2-yl)ethenyl]-1,3,4-thiadiazol-2-yl]-3H-benzimidazole-5-carboxamide?
The InChIKey is DPPRNSXTYYXPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N5O2S/c22-15(10-3-5-12-13(8-10)18-9-17-12)19-16-21-20-14(24-16)6-4-11-2-1-7-23-11/h1-9H,(H,17,18)(H,19,21,22).
What are the key properties of N-[5-[2-(furan-2-yl)ethenyl]-1,3,4-thiadiazol-2-yl]-3H-benzimidazole-5-carboxamide?
N-[5-[2-(furan-2-yl)ethenyl]-1,3,4-thiadiazol-2-yl]-3H-benzimidazole-5-carboxamide has a molecular weight of 337.36 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(furan-2-yl)ethenyl]-1,3,4-thiadiazol-2-yl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 91943716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).