3-(5-chloro-1,3-thiazol-2-yl)-1-cyclohexyl-1-piperidin-1-ylurea

C15H23ClN4OS — CID 11439308

IUPAC3-(5-chloro-1,3-thiazol-2-yl)-1-cyclohexyl-1-piperidin-1-ylurea
SMILESO=C(Nc1ncc(Cl)s1)N(C1CCCCC1)N1CCCCC1
InChIInChI=1S/C15H23ClN4OS/c16-13-11-17-14(22-13)18-15(21)20(12-7-3-1-4-8-12)19-9-5-2-6-10-19/h11-12H,1-10H2,(H,17,18,21)
InChIKeyGBPTZJSEKSYYBZ-UHFFFAOYSA-N
MW342.90 g/mol
LogP4.36
Rot. Bonds3

About 3-(5-chloro-1,3-thiazol-2-yl)-1-cyclohexyl-1-piperidin-1-ylurea

3-(5-chloro-1,3-thiazol-2-yl)-1-cyclohexyl-1-piperidin-1-ylurea (PubChem CID 11439308) has the molecular formula C15H23ClN4OS and a molecular weight of 342.90 g/mol. Its IUPAC name is 3-(5-chloro-1,3-thiazol-2-yl)-1-cyclohexyl-1-piperidin-1-ylurea.

Molecular Properties

Compound Name3-(5-chloro-1,3-thiazol-2-yl)-1-cyclohexyl-1-piperidin-1-ylurea
PubChem CID11439308
Molecular FormulaC15H23ClN4OS
Molecular Weight342.90 g/mol
Exact Mass342.13
IUPAC Name3-(5-chloro-1,3-thiazol-2-yl)-1-cyclohexyl-1-piperidin-1-ylurea
SMILESO=C(Nc1ncc(Cl)s1)N(C1CCCCC1)N1CCCCC1
InChIInChI=1S/C15H23ClN4OS/c16-13-11-17-14(22-13)18-15(21)20(12-7-3-1-4-8-12)19-9-5-2-6-10-19/h11-12H,1-10H2,(H,17,18,21)
InChIKeyGBPTZJSEKSYYBZ-UHFFFAOYSA-N
XLogP4.36
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.90
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-Chloro-1,3-thiazol-2-yl)-1-cyclohexyl-1-(4,4-difluorocyclohexyl)urea
CID 11417578
3-(5-Chloro-1,3-thiazol-2-yl)-1-cyclohexyl-1-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]urea
CID 57883556
3-(5-Chloro-1,3-thiazol-2-yl)-1-cyclohexyl-1-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]urea
CID 57883684
1-[4-[[(5-Chloro-1,3-thiazol-2-yl)amino]methyl-cyclohexylamino]piperidin-1-yl]-3,3,3-trifluoropropan-1-one
CID 147254557
3-(5-Chloro-1,3-thiazol-2-yl)-1-cyclohexyl-1-(3,3-difluorocyclohexyl)urea
CID 154430239
3-(5-Chloro-1,3-thiazol-2-yl)-1,1-dicyclopentylurea
CID 11220735
3-(5-Chloro-1,3-thiazol-2-yl)-1,1-dicyclohexylurea
CID 11267851
1-(1-Acetylpiperidin-4-yl)-3-(5-chloro-1,3-thiazol-2-yl)-1-cyclohexylurea
CID 11372552
3-(5-Chloro-1,3-thiazol-2-yl)-1-cyclohexyl-1-morpholin-4-ylurea
CID 11382362
1-Cyclohexyl-1-piperidin-1-yl-3-thiazol-2-yl-urea
CID 11415605
N-(1-Acetylpiperidin-4-yl)-N'-(5-chloro-1,3-thiazol-2-yl)-N-cycloheptylurea
CID 57688362
1-(1-Butylpiperidin-4-yl)-3-(5-chloro-1,3-thiazol-2-yl)-1-cycloheptylurea
CID 57831665

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-1,3-thiazol-2-yl)-1-cyclohexyl-1-piperidin-1-ylurea?
The IUPAC name of 3-(5-chloro-1,3-thiazol-2-yl)-1-cyclohexyl-1-piperidin-1-ylurea (CID 11439308) is 3-(5-chloro-1,3-thiazol-2-yl)-1-cyclohexyl-1-piperidin-1-ylurea.
What is the SMILES notation for 3-(5-chloro-1,3-thiazol-2-yl)-1-cyclohexyl-1-piperidin-1-ylurea?
The canonical SMILES for 3-(5-chloro-1,3-thiazol-2-yl)-1-cyclohexyl-1-piperidin-1-ylurea is O=C(Nc1ncc(Cl)s1)N(C1CCCCC1)N1CCCCC1.
What is the InChIKey of 3-(5-chloro-1,3-thiazol-2-yl)-1-cyclohexyl-1-piperidin-1-ylurea?
The InChIKey is GBPTZJSEKSYYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN4OS/c16-13-11-17-14(22-13)18-15(21)20(12-7-3-1-4-8-12)19-9-5-2-6-10-19/h11-12H,1-10H2,(H,17,18,21).
What are the key properties of 3-(5-chloro-1,3-thiazol-2-yl)-1-cyclohexyl-1-piperidin-1-ylurea?
3-(5-chloro-1,3-thiazol-2-yl)-1-cyclohexyl-1-piperidin-1-ylurea has a molecular weight of 342.90 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-1,3-thiazol-2-yl)-1-cyclohexyl-1-piperidin-1-ylurea is sourced from PubChem (CID 11439308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).