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

C15H17ClN4OS — CID 90597446

IUPAC1-(4-chlorophenyl)-3-[1-(1,3-thiazol-2-yl)piperidin-4-yl]urea
SMILESO=C(Nc1ccc(Cl)cc1)NC1CCN(c2nccs2)CC1
InChIInChI=1S/C15H17ClN4OS/c16-11-1-3-12(4-2-11)18-14(21)19-13-5-8-20(9-6-13)15-17-7-10-22-15/h1-4,7,10,13H,5-6,8-9H2,(H2,18,19,21)
InChIKeySXKSMCCWEMFHAI-UHFFFAOYSA-N
MW336.85 g/mol
LogP3.59
Rot. Bonds3

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

1-(4-chlorophenyl)-3-[1-(1,3-thiazol-2-yl)piperidin-4-yl]urea (PubChem CID 90597446) has the molecular formula C15H17ClN4OS and a molecular weight of 336.85 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[1-(1,3-thiazol-2-yl)piperidin-4-yl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[1-(1,3-thiazol-2-yl)piperidin-4-yl]urea
PubChem CID90597446
Molecular FormulaC15H17ClN4OS
Molecular Weight336.85 g/mol
Exact Mass336.08
IUPAC Name1-(4-chlorophenyl)-3-[1-(1,3-thiazol-2-yl)piperidin-4-yl]urea
SMILESO=C(Nc1ccc(Cl)cc1)NC1CCN(c2nccs2)CC1
InChIInChI=1S/C15H17ClN4OS/c16-11-1-3-12(4-2-11)18-14(21)19-13-5-8-20(9-6-13)15-17-7-10-22-15/h1-4,7,10,13H,5-6,8-9H2,(H2,18,19,21)
InChIKeySXKSMCCWEMFHAI-UHFFFAOYSA-N
XLogP3.59
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.85
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-benzodioxol-5-yl)-3-[1-(1,3-thiazol-2-yl)piperidin-4-yl]urea
CID 90597467
1-phenyl-3-[(3R)-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]urea
CID 99875460
1-(3-chloro-4-fluorophenyl)-3-[1-(1,3-thiazol-2-yl)piperidin-3-yl]urea
CID 134359721
4-chloro-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]benzamide
CID 121144583
1-(4-chlorophenyl)-3-cyclododecylurea
CID 19165021
1-(4-chlorophenyl)-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea
CID 90621421
1-(4-chlorophenyl)-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea
CID 47049584
N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]furan-2-carboxamide
CID 73168320
4-phenyl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzamide
CID 90597412
1-(4-chlorophenyl)-3-[3-[(4-chlorophenyl)carbamoylamino]cyclohexyl]urea
CID 11026212
1-[(1R)-1-pyridin-4-ylpropyl]-3-[1-(1,3-thiazol-2-yl)piperidin-4-yl]urea
CID 129433866
(3aR,7aS)-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxamide
CID 138045032

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[1-(1,3-thiazol-2-yl)piperidin-4-yl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[1-(1,3-thiazol-2-yl)piperidin-4-yl]urea (CID 90597446) is 1-(4-chlorophenyl)-3-[1-(1,3-thiazol-2-yl)piperidin-4-yl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[1-(1,3-thiazol-2-yl)piperidin-4-yl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[1-(1,3-thiazol-2-yl)piperidin-4-yl]urea is O=C(Nc1ccc(Cl)cc1)NC1CCN(c2nccs2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[1-(1,3-thiazol-2-yl)piperidin-4-yl]urea?
The InChIKey is SXKSMCCWEMFHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4OS/c16-11-1-3-12(4-2-11)18-14(21)19-13-5-8-20(9-6-13)15-17-7-10-22-15/h1-4,7,10,13H,5-6,8-9H2,(H2,18,19,21).
What are the key properties of 1-(4-chlorophenyl)-3-[1-(1,3-thiazol-2-yl)piperidin-4-yl]urea?
1-(4-chlorophenyl)-3-[1-(1,3-thiazol-2-yl)piperidin-4-yl]urea has a molecular weight of 336.85 g/mol, XLogP of 3.59, 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-[1-(1,3-thiazol-2-yl)piperidin-4-yl]urea is sourced from PubChem (CID 90597446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).