N-[(3-chloro-4-fluorophenyl)carbamoyl]thiadiazole-4-carboxamide

C10H6ClFN4O2S — CID 2739120

IUPACN-[(3-chloro-4-fluorophenyl)carbamoyl]thiadiazole-4-carboxamide
SMILESO=C(NC(=O)c1csnn1)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C10H6ClFN4O2S/c11-6-3-5(1-2-7(6)12)13-10(18)14-9(17)8-4-19-16-15-8/h1-4H,(H2,13,14,17,18)
InChIKeyCJIPCVFVARJKKI-UHFFFAOYSA-N
MW300.70 g/mol
LogP2.29
Rot. Bonds2

About N-[(3-chloro-4-fluorophenyl)carbamoyl]thiadiazole-4-carboxamide

N-[(3-chloro-4-fluorophenyl)carbamoyl]thiadiazole-4-carboxamide (PubChem CID 2739120) has the molecular formula C10H6ClFN4O2S and a molecular weight of 300.70 g/mol. Its IUPAC name is N-[(3-chloro-4-fluorophenyl)carbamoyl]thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3-chloro-4-fluorophenyl)carbamoyl]thiadiazole-4-carboxamide
PubChem CID2739120
Molecular FormulaC10H6ClFN4O2S
Molecular Weight300.70 g/mol
Exact Mass299.99
IUPAC NameN-[(3-chloro-4-fluorophenyl)carbamoyl]thiadiazole-4-carboxamide
SMILESO=C(NC(=O)c1csnn1)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C10H6ClFN4O2S/c11-6-3-5(1-2-7(6)12)13-10(18)14-9(17)8-4-19-16-15-8/h1-4H,(H2,13,14,17,18)
InChIKeyCJIPCVFVARJKKI-UHFFFAOYSA-N
XLogP2.29
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.70
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-chloro-4-fluoroanilino)-oxomethyl]-4-methyl-5-thiadiazolecarboxamide
CID 2804629
N-phenyl-N'-(1,2,3-thiadiazol-4-ylcarbonyl)thiourea
CID 1475495
N-(2-chlorophenyl)-N'-(1,2,3-thiadiazol-4-ylcarbonyl)urea
CID 2739119
N-(2-chlorophenyl)-N'-(1,2,3-thiadiazol-4-ylcarbonyl)thiourea
CID 1475502
[1,2,3]Thiadiazole-4-carboxylic acid (3-chloro-4-fluoro-phenyl)-cyclohexylcarbamoylmethyl-amide
CID 24793497
[1,2,3]Thiadiazole-4-carboxylic acid (3-chloro-4-fluoro-phenyl)-cyclopentylcarbamoylmethyl-amide
CID 3222054
N-(3-chlorophenyl)-1,2,3-thiadiazole-4-carboxamide
CID 16015186
N-(4-chlorophenyl)-1,2,3-thiadiazole-4-carboxamide
CID 712780
N-[(4-chlorophenyl)carbamoyl]thiadiazole-4-carboxamide
CID 2739118
N-(4-fluorophenyl)-1,2,3-thiadiazole-4-carboxamide
CID 1454929
1,2,3-Thiadiazole-4-carboxamide,n-(3-chloro-4-fluorophenyl)-n-[2-[(1,1-dimethylpropyl)amino]-2-oxoethyl]-
CID 3222055
N-(2-fluorophenyl)-1,2,3-thiadiazole-4-carboxamide
CID 17011620

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-fluorophenyl)carbamoyl]thiadiazole-4-carboxamide?
The IUPAC name of N-[(3-chloro-4-fluorophenyl)carbamoyl]thiadiazole-4-carboxamide (CID 2739120) is N-[(3-chloro-4-fluorophenyl)carbamoyl]thiadiazole-4-carboxamide.
What is the SMILES notation for N-[(3-chloro-4-fluorophenyl)carbamoyl]thiadiazole-4-carboxamide?
The canonical SMILES for N-[(3-chloro-4-fluorophenyl)carbamoyl]thiadiazole-4-carboxamide is O=C(NC(=O)c1csnn1)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of N-[(3-chloro-4-fluorophenyl)carbamoyl]thiadiazole-4-carboxamide?
The InChIKey is CJIPCVFVARJKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClFN4O2S/c11-6-3-5(1-2-7(6)12)13-10(18)14-9(17)8-4-19-16-15-8/h1-4H,(H2,13,14,17,18).
What are the key properties of N-[(3-chloro-4-fluorophenyl)carbamoyl]thiadiazole-4-carboxamide?
N-[(3-chloro-4-fluorophenyl)carbamoyl]thiadiazole-4-carboxamide has a molecular weight of 300.70 g/mol, XLogP of 2.29, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-fluorophenyl)carbamoyl]thiadiazole-4-carboxamide is sourced from PubChem (CID 2739120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).