3-(5-chloro-1,3-thiazol-2-yl)-1-cyclohexyl-1-(1,1-dioxothiolan-3-yl)urea

C14H20ClN3O3S2 — CID 11440324

IUPAC3-(5-chloro-1,3-thiazol-2-yl)-1-cyclohexyl-1-(1,1-dioxothiolan-3-yl)urea
SMILESO=C(Nc1ncc(Cl)s1)N(C1CCCCC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H20ClN3O3S2/c15-12-8-16-13(22-12)17-14(19)18(10-4-2-1-3-5-10)11-6-7-23(20,21)9-11/h8,10-11H,1-7,9H2,(H,16,17,19)
InChIKeyFIPGNAJLHSFZPN-UHFFFAOYSA-N
MW377.92 g/mol
LogP3.15
Rot. Bonds3

About 3-(5-chloro-1,3-thiazol-2-yl)-1-cyclohexyl-1-(1,1-dioxothiolan-3-yl)urea

3-(5-chloro-1,3-thiazol-2-yl)-1-cyclohexyl-1-(1,1-dioxothiolan-3-yl)urea (PubChem CID 11440324) has the molecular formula C14H20ClN3O3S2 and a molecular weight of 377.92 g/mol. Its IUPAC name is 3-(5-chloro-1,3-thiazol-2-yl)-1-cyclohexyl-1-(1,1-dioxothiolan-3-yl)urea.

Molecular Properties

Compound Name3-(5-chloro-1,3-thiazol-2-yl)-1-cyclohexyl-1-(1,1-dioxothiolan-3-yl)urea
PubChem CID11440324
Molecular FormulaC14H20ClN3O3S2
Molecular Weight377.92 g/mol
Exact Mass377.06
IUPAC Name3-(5-chloro-1,3-thiazol-2-yl)-1-cyclohexyl-1-(1,1-dioxothiolan-3-yl)urea
SMILESO=C(Nc1ncc(Cl)s1)N(C1CCCCC1)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H20ClN3O3S2/c15-12-8-16-13(22-12)17-14(19)18(10-4-2-1-3-5-10)11-6-7-23(20,21)9-11/h8,10-11H,1-7,9H2,(H,16,17,19)
InChIKeyFIPGNAJLHSFZPN-UHFFFAOYSA-N
XLogP3.15
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.92
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(5-chloro-1,3-thiazol-2-yl)-1-cyclohexyl-1-(1,1-dioxothiolan-3-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

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-1,3-thiazol-2-yl)-1-cyclohexyl-1-(1,1-dioxothiolan-3-yl)urea?
The IUPAC name of 3-(5-chloro-1,3-thiazol-2-yl)-1-cyclohexyl-1-(1,1-dioxothiolan-3-yl)urea (CID 11440324) is 3-(5-chloro-1,3-thiazol-2-yl)-1-cyclohexyl-1-(1,1-dioxothiolan-3-yl)urea.
What is the SMILES notation for 3-(5-chloro-1,3-thiazol-2-yl)-1-cyclohexyl-1-(1,1-dioxothiolan-3-yl)urea?
The canonical SMILES for 3-(5-chloro-1,3-thiazol-2-yl)-1-cyclohexyl-1-(1,1-dioxothiolan-3-yl)urea is O=C(Nc1ncc(Cl)s1)N(C1CCCCC1)C1CCS(=O)(=O)C1.
What is the InChIKey of 3-(5-chloro-1,3-thiazol-2-yl)-1-cyclohexyl-1-(1,1-dioxothiolan-3-yl)urea?
The InChIKey is FIPGNAJLHSFZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O3S2/c15-12-8-16-13(22-12)17-14(19)18(10-4-2-1-3-5-10)11-6-7-23(20,21)9-11/h8,10-11H,1-7,9H2,(H,16,17,19).
What are the key properties of 3-(5-chloro-1,3-thiazol-2-yl)-1-cyclohexyl-1-(1,1-dioxothiolan-3-yl)urea?
3-(5-chloro-1,3-thiazol-2-yl)-1-cyclohexyl-1-(1,1-dioxothiolan-3-yl)urea has a molecular weight of 377.92 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-1,3-thiazol-2-yl)-1-cyclohexyl-1-(1,1-dioxothiolan-3-yl)urea is sourced from PubChem (CID 11440324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).