1-(3-chlorophenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea

C10H9ClN4OS — CID 648710

IUPAC1-(3-chlorophenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea
SMILESCc1nnc(NC(=O)Nc2cccc(Cl)c2)s1
InChIInChI=1S/C10H9ClN4OS/c1-6-14-15-10(17-6)13-9(16)12-8-4-2-3-7(11)5-8/h2-5H,1H3,(H2,12,13,15,16)
InChIKeyYSKDRZWHDOZTOR-UHFFFAOYSA-N
MW268.73 g/mol
LogP3.14
Rot. Bonds2

About 1-(3-chlorophenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea

1-(3-chlorophenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea (PubChem CID 648710) has the molecular formula C10H9ClN4OS and a molecular weight of 268.73 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea
PubChem CID648710
Molecular FormulaC10H9ClN4OS
Molecular Weight268.73 g/mol
Exact Mass268.02
IUPAC Name1-(3-chlorophenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea
SMILESCc1nnc(NC(=O)Nc2cccc(Cl)c2)s1
InChIInChI=1S/C10H9ClN4OS/c1-6-14-15-10(17-6)13-9(16)12-8-4-2-3-7(11)5-8/h2-5H,1H3,(H2,12,13,15,16)
InChIKeyYSKDRZWHDOZTOR-UHFFFAOYSA-N
XLogP3.14
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.73
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(3-chlorophenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea 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

N2-(4-chlorophenyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 2725663
1-(4-Chlorophenyl)-3-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)urea
CID 7587485
N-(4-chlorophenyl)-N'-[(2E)-5-ethyl-1,3,4-thiadiazol-2(3H)-ylidene]butanediamide
CID 1400163
1-(2-Chlorophenyl)-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea
CID 15989481
1-(3,4-Dichlorophenyl)-3-{5-[(phenylsulfanyl)methyl]-1,3,4-thiadiazol-2-yl}urea
CID 1335373
1-Phenyl-3-(5-trifluoromethyl-[1,3,4]thiadiazol-2-yl)-urea
CID 2800908
Succinamide, N-(p-chlorophenyl)-N'-(5-isopropyl-1,3,4-thiadiazol-2-yl)-
CID 1401153
1-(5-Cyclohex-1-enylmethyl-[1,3,4]thiadiazol-2-yl)-3-(3,4-dichloro-phenyl)-urea
CID 1839851
1-(5-{[(2-Chlorobenzyl)sulfanyl]methyl}-1,3,4-thiadiazol-2-yl)-3-phenylurea
CID 1945591
1-{5-[(E)-2-(2-chlorophenyl)ethenyl]-1,3,4-thiadiazol-2-yl}-3-phenylurea
CID 5878769
1-(3-Chlorophenyl)-3-{5-[2-oxo-2-(pyrrolidin-1-YL)ethyl]-1,3,4-thiadiazol-2-YL}urea
CID 50825578
N2-(4-chlorophenyl)-5-methyl-1,3,4-thiadiazol-2-amine
CID 2725662

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea?
The IUPAC name of 1-(3-chlorophenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea (CID 648710) is 1-(3-chlorophenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea is Cc1nnc(NC(=O)Nc2cccc(Cl)c2)s1.
What is the InChIKey of 1-(3-chlorophenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea?
The InChIKey is YSKDRZWHDOZTOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4OS/c1-6-14-15-10(17-6)13-9(16)12-8-4-2-3-7(11)5-8/h2-5H,1H3,(H2,12,13,15,16).
What are the key properties of 1-(3-chlorophenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea?
1-(3-chlorophenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea has a molecular weight of 268.73 g/mol, XLogP of 3.14, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea is sourced from PubChem (CID 648710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).