N-[(4-fluorophenyl)methyl]thiadiazole-4-carboxamide

C10H8FN3OS — CID 1454957

IUPACN-[(4-fluorophenyl)methyl]thiadiazole-4-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1csnn1
InChIInChI=1S/C10H8FN3OS/c11-8-3-1-7(2-4-8)5-12-10(15)9-6-16-14-13-9/h1-4,6H,5H2,(H,12,15)
InChIKeyIAUPVNRMLUXSQQ-UHFFFAOYSA-N
MW237.26 g/mol
LogP1.61
Rot. Bonds3

About N-[(4-fluorophenyl)methyl]thiadiazole-4-carboxamide

N-[(4-fluorophenyl)methyl]thiadiazole-4-carboxamide (PubChem CID 1454957) has the molecular formula C10H8FN3OS and a molecular weight of 237.26 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]thiadiazole-4-carboxamide
PubChem CID1454957
Molecular FormulaC10H8FN3OS
Molecular Weight237.26 g/mol
Exact Mass237.04
IUPAC NameN-[(4-fluorophenyl)methyl]thiadiazole-4-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1csnn1
InChIInChI=1S/C10H8FN3OS/c11-8-3-1-7(2-4-8)5-12-10(15)9-6-16-14-13-9/h1-4,6H,5H2,(H,12,15)
InChIKeyIAUPVNRMLUXSQQ-UHFFFAOYSA-N
XLogP1.61
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1,2,3]Thiadiazole-4-carboxylic acid [cyclopentylcarbamoyl-(2-fluoro-phenyl)-methyl]-cyclopropyl-amide
CID 3222363
N-[4-(1,2,3-thiadiazol-4-yl)benzyl]acrylamide
CID 2739264
N-(4-ethylphenyl)-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]thiadiazole-4-carboxamide
CID 1452372
[1,2,3]Thiadiazole-4-carboxylic acid [cyclopentylcarbamoyl-(4-fluoro-phenyl)-methyl]-(3-methyl-butyl)-amide
CID 3219341
[1,2,3]Thiadiazole-4-carboxylic acid benzyl-[cyclopentylcarbamoyl-(4-fluoro-phenyl)-methyl]-amide
CID 3222171
N-[2-(cyclohexylamino)-2-oxoethyl]-N-[2-(2-methylphenyl)ethyl]thiadiazole-4-carboxamide
CID 3222295
[1,2,3]Thiadiazole-4-carboxylic acid [(4-fluoro-benzylcarbamoyl)-methyl]-(2-m-tolyl-ethyl)-amide
CID 3222305
[1,2,3]Thiadiazole-4-carboxylic acid [cyclohexylcarbamoyl-(2-fluoro-phenyl)-methyl]-cyclopentyl-amide
CID 3222432
[1,2,3]Thiadiazole-4-carboxylic acid allyl-[benzylcarbamoyl-(2-fluoro-phenyl)-methyl]-amide
CID 3222519
(9-Benzyl-3,9-diazaspiro[5.5]undecan-3-yl)-(thiadiazol-4-yl)methanone
CID 3233265
[(5S)-2-benzyl-2,7-diazaspiro[4.5]decan-7-yl]-(thiadiazol-4-yl)methanone
CID 3233513
[1,2,3]Thiadiazole-4-carboxylic acid benzyl-(phenethylcarbamoyl-methyl)-amide
CID 24793345

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]thiadiazole-4-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]thiadiazole-4-carboxamide (CID 1454957) is N-[(4-fluorophenyl)methyl]thiadiazole-4-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]thiadiazole-4-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]thiadiazole-4-carboxamide is O=C(NCc1ccc(F)cc1)c1csnn1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]thiadiazole-4-carboxamide?
The InChIKey is IAUPVNRMLUXSQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN3OS/c11-8-3-1-7(2-4-8)5-12-10(15)9-6-16-14-13-9/h1-4,6H,5H2,(H,12,15).
What are the key properties of N-[(4-fluorophenyl)methyl]thiadiazole-4-carboxamide?
N-[(4-fluorophenyl)methyl]thiadiazole-4-carboxamide has a molecular weight of 237.26 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]thiadiazole-4-carboxamide is sourced from PubChem (CID 1454957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).