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

C14H15ClN4OS — CID 808855

IUPAC1-(4-chlorophenyl)-3-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1nnc(C2CCCC2)s1
InChIInChI=1S/C14H15ClN4OS/c15-10-5-7-11(8-6-10)16-13(20)17-14-19-18-12(21-14)9-3-1-2-4-9/h5-9H,1-4H2,(H2,16,17,19,20)
InChIKeyBZDYONHMBFGRDS-UHFFFAOYSA-N
MW322.82 g/mol
LogP4.49
Rot. Bonds3

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

1-(4-chlorophenyl)-3-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)urea (PubChem CID 808855) has the molecular formula C14H15ClN4OS and a molecular weight of 322.82 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)urea
PubChem CID808855
Molecular FormulaC14H15ClN4OS
Molecular Weight322.82 g/mol
Exact Mass322.07
IUPAC Name1-(4-chlorophenyl)-3-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)urea
SMILESO=C(Nc1ccc(Cl)cc1)Nc1nnc(C2CCCC2)s1
InChIInChI=1S/C14H15ClN4OS/c15-10-5-7-11(8-6-10)16-13(20)17-14-19-18-12(21-14)9-3-1-2-4-9/h5-9H,1-4H2,(H2,16,17,19,20)
InChIKeyBZDYONHMBFGRDS-UHFFFAOYSA-N
XLogP4.49
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.82
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chlorophenyl)-3-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)urea
CID 734405
1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[4-(oxan-4-yl)phenyl]urea
CID 166306171
N-[4-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)carbamoylamino]phenyl]-3-methylbutanamide
CID 55973650
1-(4-chlorophenyl)-3-(5-pyrrolidin-1-yl-1,3,4-thiadiazol-2-yl)urea
CID 22509963
1-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-(2,4-difluorophenyl)urea
CID 39891630
1-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-(2-methylphenyl)urea
CID 35524324
1-(4-chlorobenzoyl)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 17119295
N'-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-N-(4-methylphenyl)butanediamide
CID 1402158
N-(4-bromophenyl)-N'-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)butanediamide
CID 1400083
1-(4-chlorophenyl)-3-[5-(1,3-dioxolan-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]urea
CID 7587568
1-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-(4-methylphenyl)urea
CID 881128
(2R)-2-(4-chlorophenoxy)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)propanamide
CID 2667682

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)urea?
The IUPAC name of 1-(4-chlorophenyl)-3-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)urea (CID 808855) is 1-(4-chlorophenyl)-3-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)urea is O=C(Nc1ccc(Cl)cc1)Nc1nnc(C2CCCC2)s1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)urea?
The InChIKey is BZDYONHMBFGRDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4OS/c15-10-5-7-11(8-6-10)16-13(20)17-14-19-18-12(21-14)9-3-1-2-4-9/h5-9H,1-4H2,(H2,16,17,19,20).
What are the key properties of 1-(4-chlorophenyl)-3-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)urea?
1-(4-chlorophenyl)-3-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)urea has a molecular weight of 322.82 g/mol, XLogP of 4.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)urea is sourced from PubChem (CID 808855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).