1-(4-methyl-2-piperidin-1-ylphenyl)-3-(1,3-thiazol-2-yl)urea

C16H20N4OS — CID 59732966

IUPAC1-(4-methyl-2-piperidin-1-ylphenyl)-3-(1,3-thiazol-2-yl)urea
SMILESCc1ccc(NC(=O)Nc2nccs2)c(N2CCCCC2)c1
InChIInChI=1S/C16H20N4OS/c1-12-5-6-13(14(11-12)20-8-3-2-4-9-20)18-15(21)19-16-17-7-10-22-16/h5-7,10-11H,2-4,8-9H2,1H3,(H2,17,18,19,21)
InChIKeyBAGAEWAKPDIVMX-UHFFFAOYSA-N
MW316.43 g/mol
LogP4.09
Rot. Bonds3

About 1-(4-methyl-2-piperidin-1-ylphenyl)-3-(1,3-thiazol-2-yl)urea

1-(4-methyl-2-piperidin-1-ylphenyl)-3-(1,3-thiazol-2-yl)urea (PubChem CID 59732966) has the molecular formula C16H20N4OS and a molecular weight of 316.43 g/mol. Its IUPAC name is 1-(4-methyl-2-piperidin-1-ylphenyl)-3-(1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-(4-methyl-2-piperidin-1-ylphenyl)-3-(1,3-thiazol-2-yl)urea
PubChem CID59732966
Molecular FormulaC16H20N4OS
Molecular Weight316.43 g/mol
Exact Mass316.14
IUPAC Name1-(4-methyl-2-piperidin-1-ylphenyl)-3-(1,3-thiazol-2-yl)urea
SMILESCc1ccc(NC(=O)Nc2nccs2)c(N2CCCCC2)c1
InChIInChI=1S/C16H20N4OS/c1-12-5-6-13(14(11-12)20-8-3-2-4-9-20)18-15(21)19-16-17-7-10-22-16/h5-7,10-11H,2-4,8-9H2,1H3,(H2,17,18,19,21)
InChIKeyBAGAEWAKPDIVMX-UHFFFAOYSA-N
XLogP4.09
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(4-methyl-2-piperidin-1-ylphenyl)-3-(1,3-thiazol-2-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

Related Compounds

1-[5-(1H-imidazol-2-ylsulfanyl)-1,3-thiazol-2-yl]-3-(4-methyl-2-piperidin-1-ylphenyl)urea
CID 87230389
1-[2-(cyclopentylmethoxy)-4-methylphenyl]-3-(1,3-thiazol-2-yl)urea
CID 59732830
3-[[2-[(4-methyl-2-piperidin-1-ylphenyl)carbamoylamino]-1,3-thiazol-5-yl]sulfanyl]propanoic acid
CID 87230619
1-[2,6-dimethyl-5-(1,3-thiazol-2-ylcarbamoylamino)-3-pyridinyl]-3-(1,3-thiazol-2-yl)urea
CID 2401380
1-(2,5-dimethylphenyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 3160101
1-[5-[2-(1-methylimidazol-2-yl)sulfanylethyl]-1,3-thiazol-2-yl]-3-(4-methyl-2-piperidin-1-ylphenyl)urea
CID 87231048
4-[[2-[(4-methyl-2-piperidin-1-ylphenyl)carbamoylamino]-1,3-thiazol-5-yl]methylsulfonyl]benzoic acid
CID 87231472
1-[4-methyl-2-(3-methylbut-2-enoxy)phenyl]-3-(1,3-thiazol-2-yl)urea
CID 59733134
N-(4-methyl-2-pyrrolidin-1-ylphenyl)cyclohexanecarboxamide
CID 168512570
1-[5-methyl-2-(3-methylbutanoyl)phenyl]-3-(1,3-thiazol-2-yl)urea
CID 59733088
1-(2-methoxy-5-methylphenyl)-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 17019101
1-(4-methyl-2-pentylsulfinylphenyl)-3-(1,3-thiazol-2-yl)urea
CID 174531548

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-2-piperidin-1-ylphenyl)-3-(1,3-thiazol-2-yl)urea?
The IUPAC name of 1-(4-methyl-2-piperidin-1-ylphenyl)-3-(1,3-thiazol-2-yl)urea (CID 59732966) is 1-(4-methyl-2-piperidin-1-ylphenyl)-3-(1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-(4-methyl-2-piperidin-1-ylphenyl)-3-(1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-(4-methyl-2-piperidin-1-ylphenyl)-3-(1,3-thiazol-2-yl)urea is Cc1ccc(NC(=O)Nc2nccs2)c(N2CCCCC2)c1.
What is the InChIKey of 1-(4-methyl-2-piperidin-1-ylphenyl)-3-(1,3-thiazol-2-yl)urea?
The InChIKey is BAGAEWAKPDIVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4OS/c1-12-5-6-13(14(11-12)20-8-3-2-4-9-20)18-15(21)19-16-17-7-10-22-16/h5-7,10-11H,2-4,8-9H2,1H3,(H2,17,18,19,21).
What are the key properties of 1-(4-methyl-2-piperidin-1-ylphenyl)-3-(1,3-thiazol-2-yl)urea?
1-(4-methyl-2-piperidin-1-ylphenyl)-3-(1,3-thiazol-2-yl)urea has a molecular weight of 316.43 g/mol, XLogP of 4.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-2-piperidin-1-ylphenyl)-3-(1,3-thiazol-2-yl)urea is sourced from PubChem (CID 59732966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).