N-[(3-chloro-4-fluorophenyl)carbamoyl]-4-methylthiadiazole-5-carboxamide

C11H8ClFN4O2S — CID 2804629

IUPACN-[(3-chloro-4-fluorophenyl)carbamoyl]-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NC(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C11H8ClFN4O2S/c1-5-9(20-17-16-5)10(18)15-11(19)14-6-2-3-8(13)7(12)4-6/h2-4H,1H3,(H2,14,15,18,19)
InChIKeyJTWOMRHHCDSHHR-UHFFFAOYSA-N
MW314.73 g/mol
LogP2.60
Rot. Bonds2

About N-[(3-chloro-4-fluorophenyl)carbamoyl]-4-methylthiadiazole-5-carboxamide

N-[(3-chloro-4-fluorophenyl)carbamoyl]-4-methylthiadiazole-5-carboxamide (PubChem CID 2804629) has the molecular formula C11H8ClFN4O2S and a molecular weight of 314.73 g/mol. Its IUPAC name is N-[(3-chloro-4-fluorophenyl)carbamoyl]-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3-chloro-4-fluorophenyl)carbamoyl]-4-methylthiadiazole-5-carboxamide
PubChem CID2804629
Molecular FormulaC11H8ClFN4O2S
Molecular Weight314.73 g/mol
Exact Mass314.00
IUPAC NameN-[(3-chloro-4-fluorophenyl)carbamoyl]-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NC(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C11H8ClFN4O2S/c1-5-9(20-17-16-5)10(18)15-11(19)14-6-2-3-8(13)7(12)4-6/h2-4H,1H3,(H2,14,15,18,19)
InChIKeyJTWOMRHHCDSHHR-UHFFFAOYSA-N
XLogP2.60
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.73
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(3-chloro-4-fluorophenyl)carbamoyl]-4-methylthiadiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-chlorophenyl)-4-methyl-1,2,3-thiadiazole-5-carboxamide
CID 728524
N-(2-chlorophenyl)-4-methyl-1,2,3-thiadiazole-5-carboxamide
CID 658031
N-(4-chlorophenyl)-4-methyl-1,2,3-thiadiazole-5-carboxamide
CID 850802
N-(2,3-dichlorophenyl)-4-methyl-1,2,3-thiadiazole-5-carboxamide
CID 850803
N-(2,5-dichlorophenyl)-4-methyl-1,2,3-thiadiazole-5-carboxamide
CID 850862
N-[(3-chloro-4-fluorophenyl)carbamoyl]thiadiazole-4-carboxamide
CID 2739120
N-(4-fluorophenyl)-4-methyl-1,2,3-thiadiazole-5-carboxamide
CID 850832
N-(2-fluorophenyl)-4-methyl-1,2,3-thiadiazole-5-carboxamide
CID 850831
N-[(7S,8aS)-2-(3-chloro-4-fluorophenyl)-1,3-dioxo-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridin-7-yl]-4-methylthiadiazole-5-carboxamide
CID 7050314
1-(4-Chlorophenyl)-3-[(4-methylthiadiazole-5-carbonyl)amino]thiourea
CID 9085295
4-ethyl-N-(3-fluorophenyl)thiadiazole-5-carboxamide
CID 39966179
N-[(3,5-dichlorophenyl)carbamoyl]-4-methylthiadiazole-5-carboxamide
CID 2804632

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-fluorophenyl)carbamoyl]-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-[(3-chloro-4-fluorophenyl)carbamoyl]-4-methylthiadiazole-5-carboxamide (CID 2804629) is N-[(3-chloro-4-fluorophenyl)carbamoyl]-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[(3-chloro-4-fluorophenyl)carbamoyl]-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-[(3-chloro-4-fluorophenyl)carbamoyl]-4-methylthiadiazole-5-carboxamide is Cc1nnsc1C(=O)NC(=O)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of N-[(3-chloro-4-fluorophenyl)carbamoyl]-4-methylthiadiazole-5-carboxamide?
The InChIKey is JTWOMRHHCDSHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFN4O2S/c1-5-9(20-17-16-5)10(18)15-11(19)14-6-2-3-8(13)7(12)4-6/h2-4H,1H3,(H2,14,15,18,19).
What are the key properties of N-[(3-chloro-4-fluorophenyl)carbamoyl]-4-methylthiadiazole-5-carboxamide?
N-[(3-chloro-4-fluorophenyl)carbamoyl]-4-methylthiadiazole-5-carboxamide has a molecular weight of 314.73 g/mol, XLogP of 2.60, 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]-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 2804629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).