1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-cyclohexylurea

C16H18ClN3OS — CID 898415

IUPAC1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-cyclohexylurea
SMILESO=C(Nc1nc(-c2ccc(Cl)cc2)cs1)NC1CCCCC1
InChIInChI=1S/C16H18ClN3OS/c17-12-8-6-11(7-9-12)14-10-22-16(19-14)20-15(21)18-13-4-2-1-3-5-13/h6-10,13H,1-5H2,(H2,18,19,20,21)
InChIKeyDMSKPBGCGDDWKD-UHFFFAOYSA-N
MW335.86 g/mol
LogP4.92
Rot. Bonds3

About 1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-cyclohexylurea

1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-cyclohexylurea (PubChem CID 898415) has the molecular formula C16H18ClN3OS and a molecular weight of 335.86 g/mol. Its IUPAC name is 1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-cyclohexylurea.

Molecular Properties

Compound Name1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-cyclohexylurea
PubChem CID898415
Molecular FormulaC16H18ClN3OS
Molecular Weight335.86 g/mol
Exact Mass335.09
IUPAC Name1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-cyclohexylurea
SMILESO=C(Nc1nc(-c2ccc(Cl)cc2)cs1)NC1CCCCC1
InChIInChI=1S/C16H18ClN3OS/c17-12-8-6-11(7-9-12)14-10-22-16(19-14)20-15(21)18-13-4-2-1-3-5-13/h6-10,13H,1-5H2,(H2,18,19,20,21)
InChIKeyDMSKPBGCGDDWKD-UHFFFAOYSA-N
XLogP4.92
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.86
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-cyclohexylurea?
The IUPAC name of 1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-cyclohexylurea (CID 898415) is 1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-cyclohexylurea.
What is the SMILES notation for 1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-cyclohexylurea?
The canonical SMILES for 1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-cyclohexylurea is O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)NC1CCCCC1.
What is the InChIKey of 1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-cyclohexylurea?
The InChIKey is DMSKPBGCGDDWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3OS/c17-12-8-6-11(7-9-12)14-10-22-16(19-14)20-15(21)18-13-4-2-1-3-5-13/h6-10,13H,1-5H2,(H2,18,19,20,21).
What are the key properties of 1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-cyclohexylurea?
1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-cyclohexylurea has a molecular weight of 335.86 g/mol, XLogP of 4.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-cyclohexylurea is sourced from PubChem (CID 898415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).