molecular hydrogen;N-(1,3,4-thiadiazol-2-yl)-3H-benzimidazole-5-carboxamide

C10H9N5OS — CID 165120783

IUPACmolecular hydrogen;N-(1,3,4-thiadiazol-2-yl)-3H-benzimidazole-5-carboxamide
SMILESO=C(Nc1nncs1)c1ccc2nc[nH]c2c1.[H][H]
InChIInChI=1S/C10H7N5OS.H2/c16-9(14-10-15-13-5-17-10)6-1-2-7-8(3-6)12-4-11-7;/h1-5H,(H,11,12)(H,14,15,16);1H
InChIKeyRMAUJASLQDQVMX-UHFFFAOYSA-N
MW247.28 g/mol
LogP1.91
Rot. Bonds2

About molecular hydrogen;N-(1,3,4-thiadiazol-2-yl)-3H-benzimidazole-5-carboxamide

molecular hydrogen;N-(1,3,4-thiadiazol-2-yl)-3H-benzimidazole-5-carboxamide (PubChem CID 165120783) has the molecular formula C10H9N5OS and a molecular weight of 247.28 g/mol. Its IUPAC name is molecular hydrogen;N-(1,3,4-thiadiazol-2-yl)-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Namemolecular hydrogen;N-(1,3,4-thiadiazol-2-yl)-3H-benzimidazole-5-carboxamide
PubChem CID165120783
Molecular FormulaC10H9N5OS
Molecular Weight247.28 g/mol
Exact Mass247.05
IUPAC Namemolecular hydrogen;N-(1,3,4-thiadiazol-2-yl)-3H-benzimidazole-5-carboxamide
SMILESO=C(Nc1nncs1)c1ccc2nc[nH]c2c1.[H][H]
InChIInChI=1S/C10H7N5OS.H2/c16-9(14-10-15-13-5-17-10)6-1-2-7-8(3-6)12-4-11-7;/h1-5H,(H,11,12)(H,14,15,16);1H
InChIKeyRMAUJASLQDQVMX-UHFFFAOYSA-N
XLogP1.91
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-methyl-1,3,4-thiadiazol-2-yl)-3H-benzimidazole-5-carboxamide
CID 17421337
N-[4-[4-(3H-benzimidazole-5-carbonylamino)anilino]phenyl]-3H-benzimidazole-5-carboxamide
CID 67686736
N-(3-carbamoylphenyl)-3H-benzimidazole-5-carboxamide
CID 60630265
N-(5-butyl-1,3,4-thiadiazol-2-yl)-3H-benzimidazole-5-carboxamide
CID 17421339
N-(4-hydroxyphenyl)-3H-benzimidazole-5-carboxamide
CID 28739583
N-[5-[2-(furan-2-yl)ethenyl]-1,3,4-thiadiazol-2-yl]-3H-benzimidazole-5-carboxamide
CID 91943716
N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-3H-benzimidazole-5-carboxamide
CID 17426537
N-(3-acetamidophenyl)-3H-benzimidazole-5-carboxamide
CID 27259059
N-quinoxalin-6-yl-3H-benzimidazole-5-carboxamide
CID 110743788
N-(2-chloropyrimidin-4-yl)-3H-benzimidazole-5-carboxamide
CID 116795202
4-benzamido-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 17018933
3,4-dimethyl-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 739253

Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;N-(1,3,4-thiadiazol-2-yl)-3H-benzimidazole-5-carboxamide?
The IUPAC name of molecular hydrogen;N-(1,3,4-thiadiazol-2-yl)-3H-benzimidazole-5-carboxamide (CID 165120783) is molecular hydrogen;N-(1,3,4-thiadiazol-2-yl)-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for molecular hydrogen;N-(1,3,4-thiadiazol-2-yl)-3H-benzimidazole-5-carboxamide?
The canonical SMILES for molecular hydrogen;N-(1,3,4-thiadiazol-2-yl)-3H-benzimidazole-5-carboxamide is O=C(Nc1nncs1)c1ccc2nc[nH]c2c1.[H][H].
What is the InChIKey of molecular hydrogen;N-(1,3,4-thiadiazol-2-yl)-3H-benzimidazole-5-carboxamide?
The InChIKey is RMAUJASLQDQVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N5OS.H2/c16-9(14-10-15-13-5-17-10)6-1-2-7-8(3-6)12-4-11-7;/h1-5H,(H,11,12)(H,14,15,16);1H.
What are the key properties of molecular hydrogen;N-(1,3,4-thiadiazol-2-yl)-3H-benzimidazole-5-carboxamide?
molecular hydrogen;N-(1,3,4-thiadiazol-2-yl)-3H-benzimidazole-5-carboxamide has a molecular weight of 247.28 g/mol, XLogP of 1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;N-(1,3,4-thiadiazol-2-yl)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 165120783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).