N-[2-(difluoromethyl)-3H-benzimidazol-5-yl]thiadiazole-4-carboxamide

C11H7F2N5OS — CID 75391622

IUPACN-[2-(difluoromethyl)-3H-benzimidazol-5-yl]thiadiazole-4-carboxamide
SMILESO=C(Nc1ccc2nc(C(F)F)[nH]c2c1)c1csnn1
InChIInChI=1S/C11H7F2N5OS/c12-9(13)10-15-6-2-1-5(3-7(6)16-10)14-11(19)8-4-20-18-17-8/h1-4,9H,(H,14,19)(H,15,16)
InChIKeyOMDSXROTZVAPCM-UHFFFAOYSA-N
MW295.27 g/mol
LogP2.60
Rot. Bonds3

About N-[2-(difluoromethyl)-3H-benzimidazol-5-yl]thiadiazole-4-carboxamide

N-[2-(difluoromethyl)-3H-benzimidazol-5-yl]thiadiazole-4-carboxamide (PubChem CID 75391622) has the molecular formula C11H7F2N5OS and a molecular weight of 295.27 g/mol. Its IUPAC name is N-[2-(difluoromethyl)-3H-benzimidazol-5-yl]thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(difluoromethyl)-3H-benzimidazol-5-yl]thiadiazole-4-carboxamide
PubChem CID75391622
Molecular FormulaC11H7F2N5OS
Molecular Weight295.27 g/mol
Exact Mass295.03
IUPAC NameN-[2-(difluoromethyl)-3H-benzimidazol-5-yl]thiadiazole-4-carboxamide
SMILESO=C(Nc1ccc2nc(C(F)F)[nH]c2c1)c1csnn1
InChIInChI=1S/C11H7F2N5OS/c12-9(13)10-15-6-2-1-5(3-7(6)16-10)14-11(19)8-4-20-18-17-8/h1-4,9H,(H,14,19)(H,15,16)
InChIKeyOMDSXROTZVAPCM-UHFFFAOYSA-N
XLogP2.60
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.27
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 166187226
N-(2H-benzotriazol-5-yl)thiadiazole-4-carboxamide
CID 71918391
N-[2-(difluoromethyl)-3H-benzimidazol-5-yl]cyclopentene-1-carboxamide
CID 97246512
N-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-2-(1H-indol-3-yl)acetamide
CID 155945331
2-(difluoromethyl)-N-[3-(pyridin-4-ylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide
CID 56563825
N-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-1-methylpyrazole-4-carboxamide
CID 75391625
2-(difluoromethyl)-N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-3H-benzimidazole-5-carboxamide
CID 56561489
N-(2-propan-2-yl-3H-benzimidazol-5-yl)pyrazine-2-carboxamide
CID 110793209
1-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-3-(1-hydroxy-3-phenylpropan-2-yl)urea
CID 71906546
2-methoxyethyl N-[3-[[2-(difluoromethyl)-3H-benzimidazole-5-carbonyl]amino]phenyl]carbamate
CID 56561529
2-(difluoromethyl)-N-[4-(pyrimidin-2-ylamino)sulfanylphenyl]-3H-benzimidazole-5-carboxamide
CID 145039648
N-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-1-(thiolan-3-yl)piperidine-4-carboxamide
CID 128531892

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethyl)-3H-benzimidazol-5-yl]thiadiazole-4-carboxamide?
The IUPAC name of N-[2-(difluoromethyl)-3H-benzimidazol-5-yl]thiadiazole-4-carboxamide (CID 75391622) is N-[2-(difluoromethyl)-3H-benzimidazol-5-yl]thiadiazole-4-carboxamide.
What is the SMILES notation for N-[2-(difluoromethyl)-3H-benzimidazol-5-yl]thiadiazole-4-carboxamide?
The canonical SMILES for N-[2-(difluoromethyl)-3H-benzimidazol-5-yl]thiadiazole-4-carboxamide is O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)c1csnn1.
What is the InChIKey of N-[2-(difluoromethyl)-3H-benzimidazol-5-yl]thiadiazole-4-carboxamide?
The InChIKey is OMDSXROTZVAPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F2N5OS/c12-9(13)10-15-6-2-1-5(3-7(6)16-10)14-11(19)8-4-20-18-17-8/h1-4,9H,(H,14,19)(H,15,16).
What are the key properties of N-[2-(difluoromethyl)-3H-benzimidazol-5-yl]thiadiazole-4-carboxamide?
N-[2-(difluoromethyl)-3H-benzimidazol-5-yl]thiadiazole-4-carboxamide has a molecular weight of 295.27 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethyl)-3H-benzimidazol-5-yl]thiadiazole-4-carboxamide is sourced from PubChem (CID 75391622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).