4-methyl-2-[(3-methylphenyl)methyl]-5-piperidin-4-yl-1,3-thiazole

C17H22N2S — CID 18187692

IUPAC4-methyl-2-[(3-methylphenyl)methyl]-5-piperidin-4-yl-1,3-thiazole
SMILESCc1cccc(Cc2nc(C)c(C3CCNCC3)s2)c1
InChIInChI=1S/C17H22N2S/c1-12-4-3-5-14(10-12)11-16-19-13(2)17(20-16)15-6-8-18-9-7-15/h3-5,10,15,18H,6-9,11H2,1-2H3
InChIKeyKIBDWKKYHZGJOR-UHFFFAOYSA-N
MW286.44 g/mol
LogP3.82
Rot. Bonds3

About 4-methyl-2-[(3-methylphenyl)methyl]-5-piperidin-4-yl-1,3-thiazole

4-methyl-2-[(3-methylphenyl)methyl]-5-piperidin-4-yl-1,3-thiazole (PubChem CID 18187692) has the molecular formula C17H22N2S and a molecular weight of 286.44 g/mol. Its IUPAC name is 4-methyl-2-[(3-methylphenyl)methyl]-5-piperidin-4-yl-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-[(3-methylphenyl)methyl]-5-piperidin-4-yl-1,3-thiazole
PubChem CID18187692
Molecular FormulaC17H22N2S
Molecular Weight286.44 g/mol
Exact Mass286.15
IUPAC Name4-methyl-2-[(3-methylphenyl)methyl]-5-piperidin-4-yl-1,3-thiazole
SMILESCc1cccc(Cc2nc(C)c(C3CCNCC3)s2)c1
InChIInChI=1S/C17H22N2S/c1-12-4-3-5-14(10-12)11-16-19-13(2)17(20-16)15-6-8-18-9-7-15/h3-5,10,15,18H,6-9,11H2,1-2H3
InChIKeyKIBDWKKYHZGJOR-UHFFFAOYSA-N
XLogP3.82
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-methyl-2-[(3-methylphenyl)methyl]-5-piperidin-4-yl-1,3-thiazole 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

2-[(4-methoxyphenyl)methyl]-4-methyl-5-piperidin-4-yl-1,3-thiazole
CID 18187787
2-[(3-methylphenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
CID 62089196
5-(chloromethyl)-4-methyl-2-[(3-methylphenyl)methyl]-1,3-thiazole
CID 59823745
5,5-dimethyl-2-[(3-methylphenyl)methyl]-6,7-dihydro-4H-1,3-benzothiazol-7-ol
CID 62090802
4-ethyl-2-[(4-methoxyphenyl)methyl]-5-piperidin-4-yl-1,3-thiazole;2-[(4-methoxyphenyl)methyl]-4-methyl-5-piperidin-4-yl-1,3-thiazole;2-[(4-methoxyphenyl)methyl]-5-piperidin-4-yl-1,3-thiazole
CID 158774322
2-[(3-methoxyphenyl)methyl]-5-piperidin-4-yl-1,3-thiazole
CID 18187785
4-ethyl-5-piperidin-4-yl-2-[(4-propan-2-ylphenyl)methyl]-1,3-thiazole
CID 18187563
3-[(5-piperidin-4-yl-1,3-thiazol-2-yl)methyl]benzonitrile
CID 18187788
2-(3-bromophenyl)-4-methyl-5-pyrrolidin-3-yl-1,3-thiazole
CID 116885080
2-[(3-methylphenyl)methyl]-6,7-dihydro-5H-1,3-benzothiazol-4-one
CID 64975201
4-[(3-methylphenyl)methoxy]piperidine;hydrochloride
CID 45075442
2-benzyl-5-piperidin-4-yl-1,3-thiazole
CID 18187536

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(3-methylphenyl)methyl]-5-piperidin-4-yl-1,3-thiazole?
The IUPAC name of 4-methyl-2-[(3-methylphenyl)methyl]-5-piperidin-4-yl-1,3-thiazole (CID 18187692) is 4-methyl-2-[(3-methylphenyl)methyl]-5-piperidin-4-yl-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-[(3-methylphenyl)methyl]-5-piperidin-4-yl-1,3-thiazole?
The canonical SMILES for 4-methyl-2-[(3-methylphenyl)methyl]-5-piperidin-4-yl-1,3-thiazole is Cc1cccc(Cc2nc(C)c(C3CCNCC3)s2)c1.
What is the InChIKey of 4-methyl-2-[(3-methylphenyl)methyl]-5-piperidin-4-yl-1,3-thiazole?
The InChIKey is KIBDWKKYHZGJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2S/c1-12-4-3-5-14(10-12)11-16-19-13(2)17(20-16)15-6-8-18-9-7-15/h3-5,10,15,18H,6-9,11H2,1-2H3.
What are the key properties of 4-methyl-2-[(3-methylphenyl)methyl]-5-piperidin-4-yl-1,3-thiazole?
4-methyl-2-[(3-methylphenyl)methyl]-5-piperidin-4-yl-1,3-thiazole has a molecular weight of 286.44 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(3-methylphenyl)methyl]-5-piperidin-4-yl-1,3-thiazole is sourced from PubChem (CID 18187692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).