3-(5-chloro-1,3-thiazol-2-yl)-1-cyclohexyl-1-(1,1-dioxothian-4-yl)urea

C15H22ClN3O3S2 — CID 11406685

IUPAC3-(5-chloro-1,3-thiazol-2-yl)-1-cyclohexyl-1-(1,1-dioxothian-4-yl)urea
SMILESO=C(Nc1ncc(Cl)s1)N(C1CCCCC1)C1CCS(=O)(=O)CC1
InChIInChI=1S/C15H22ClN3O3S2/c16-13-10-17-14(23-13)18-15(20)19(11-4-2-1-3-5-11)12-6-8-24(21,22)9-7-12/h10-12H,1-9H2,(H,17,18,20)
InChIKeyJWDRYYOJQGIXFM-UHFFFAOYSA-N
MW391.95 g/mol
LogP3.54
Rot. Bonds3

About 3-(5-chloro-1,3-thiazol-2-yl)-1-cyclohexyl-1-(1,1-dioxothian-4-yl)urea

3-(5-chloro-1,3-thiazol-2-yl)-1-cyclohexyl-1-(1,1-dioxothian-4-yl)urea (PubChem CID 11406685) has the molecular formula C15H22ClN3O3S2 and a molecular weight of 391.95 g/mol. Its IUPAC name is 3-(5-chloro-1,3-thiazol-2-yl)-1-cyclohexyl-1-(1,1-dioxothian-4-yl)urea.

Molecular Properties

Compound Name3-(5-chloro-1,3-thiazol-2-yl)-1-cyclohexyl-1-(1,1-dioxothian-4-yl)urea
PubChem CID11406685
Molecular FormulaC15H22ClN3O3S2
Molecular Weight391.95 g/mol
Exact Mass391.08
IUPAC Name3-(5-chloro-1,3-thiazol-2-yl)-1-cyclohexyl-1-(1,1-dioxothian-4-yl)urea
SMILESO=C(Nc1ncc(Cl)s1)N(C1CCCCC1)C1CCS(=O)(=O)CC1
InChIInChI=1S/C15H22ClN3O3S2/c16-13-10-17-14(23-13)18-15(20)19(11-4-2-1-3-5-11)12-6-8-24(21,22)9-7-12/h10-12H,1-9H2,(H,17,18,20)
InChIKeyJWDRYYOJQGIXFM-UHFFFAOYSA-N
XLogP3.54
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.95
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(5-chloro-1,3-thiazol-2-yl)-1-cyclohexyl-1-(1,1-dioxothian-4-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-dioxothian-4-yl)urea?
The IUPAC name of 3-(5-chloro-1,3-thiazol-2-yl)-1-cyclohexyl-1-(1,1-dioxothian-4-yl)urea (CID 11406685) is 3-(5-chloro-1,3-thiazol-2-yl)-1-cyclohexyl-1-(1,1-dioxothian-4-yl)urea.
What is the SMILES notation for 3-(5-chloro-1,3-thiazol-2-yl)-1-cyclohexyl-1-(1,1-dioxothian-4-yl)urea?
The canonical SMILES for 3-(5-chloro-1,3-thiazol-2-yl)-1-cyclohexyl-1-(1,1-dioxothian-4-yl)urea is O=C(Nc1ncc(Cl)s1)N(C1CCCCC1)C1CCS(=O)(=O)CC1.
What is the InChIKey of 3-(5-chloro-1,3-thiazol-2-yl)-1-cyclohexyl-1-(1,1-dioxothian-4-yl)urea?
The InChIKey is JWDRYYOJQGIXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O3S2/c16-13-10-17-14(23-13)18-15(20)19(11-4-2-1-3-5-11)12-6-8-24(21,22)9-7-12/h10-12H,1-9H2,(H,17,18,20).
What are the key properties of 3-(5-chloro-1,3-thiazol-2-yl)-1-cyclohexyl-1-(1,1-dioxothian-4-yl)urea?
3-(5-chloro-1,3-thiazol-2-yl)-1-cyclohexyl-1-(1,1-dioxothian-4-yl)urea has a molecular weight of 391.95 g/mol, XLogP of 3.54, 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-dioxothian-4-yl)urea is sourced from PubChem (CID 11406685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).