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

C15H17ClN4OS — CID 734405

IUPAC1-(3-chlorophenyl)-3-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)urea
SMILESO=C(Nc1cccc(Cl)c1)Nc1nnc(C2CCCCC2)s1
InChIInChI=1S/C15H17ClN4OS/c16-11-7-4-8-12(9-11)17-14(21)18-15-20-19-13(22-15)10-5-2-1-3-6-10/h4,7-10H,1-3,5-6H2,(H2,17,18,20,21)
InChIKeyWEIWKHZSKLUSJH-UHFFFAOYSA-N
MW336.85 g/mol
LogP4.88
Rot. Bonds3

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

1-(3-chlorophenyl)-3-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)urea (PubChem CID 734405) has the molecular formula C15H17ClN4OS and a molecular weight of 336.85 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)urea
PubChem CID734405
Molecular FormulaC15H17ClN4OS
Molecular Weight336.85 g/mol
Exact Mass336.08
IUPAC Name1-(3-chlorophenyl)-3-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)urea
SMILESO=C(Nc1cccc(Cl)c1)Nc1nnc(C2CCCCC2)s1
InChIInChI=1S/C15H17ClN4OS/c16-11-7-4-8-12(9-11)17-14(21)18-15-20-19-13(22-15)10-5-2-1-3-6-10/h4,7-10H,1-3,5-6H2,(H2,17,18,20,21)
InChIKeyWEIWKHZSKLUSJH-UHFFFAOYSA-N
XLogP4.88
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.85
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)-3-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)urea
CID 808855
1-(3-chlorophenyl)-3-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]urea
CID 19187582
N-(3-bromophenyl)-N'-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)butanediamide
CID 1398596
1-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-(2-methylphenyl)urea
CID 35524324
2-(3-chlorophenyl)-N-[5-[3-[5-[[2-(3-chlorophenyl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 123847431
N-(3-chlorophenyl)-5-[(3R)-piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide
CID 94133475
1-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-(2,4-difluorophenyl)urea
CID 39891630
1-(3-chlorophenyl)-3-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]urea
CID 741055
1-(3-chlorophenyl)-3-(5-undecyl-1,3,4-thiadiazol-2-yl)urea
CID 3849762
2-(3-chlorophenoxy)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)propanamide
CID 17218012
1-[5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]-3-(3-chlorophenyl)urea
CID 15993448
1-(3-chlorophenyl)-3-(2-hydroxycyclohexyl)urea
CID 3449806

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)urea?
The IUPAC name of 1-(3-chlorophenyl)-3-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)urea (CID 734405) is 1-(3-chlorophenyl)-3-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)urea is O=C(Nc1cccc(Cl)c1)Nc1nnc(C2CCCCC2)s1.
What is the InChIKey of 1-(3-chlorophenyl)-3-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)urea?
The InChIKey is WEIWKHZSKLUSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4OS/c16-11-7-4-8-12(9-11)17-14(21)18-15-20-19-13(22-15)10-5-2-1-3-6-10/h4,7-10H,1-3,5-6H2,(H2,17,18,20,21).
What are the key properties of 1-(3-chlorophenyl)-3-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)urea?
1-(3-chlorophenyl)-3-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)urea has a molecular weight of 336.85 g/mol, XLogP of 4.88, 3 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-cyclohexyl-1,3,4-thiadiazol-2-yl)urea is sourced from PubChem (CID 734405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).