2-(3-methylphenyl)-4-piperidin-4-yl-1,3-thiazole

C15H18N2S — CID 116888733

IUPAC2-(3-methylphenyl)-4-piperidin-4-yl-1,3-thiazole
SMILESCc1cccc(-c2nc(C3CCNCC3)cs2)c1
InChIInChI=1S/C15H18N2S/c1-11-3-2-4-13(9-11)15-17-14(10-18-15)12-5-7-16-8-6-12/h2-4,9-10,12,16H,5-8H2,1H3
InChIKeyPAGYCNGJOGTPCV-UHFFFAOYSA-N
MW258.39 g/mol
LogP3.59
Rot. Bonds2

About 2-(3-methylphenyl)-4-piperidin-4-yl-1,3-thiazole

2-(3-methylphenyl)-4-piperidin-4-yl-1,3-thiazole (PubChem CID 116888733) has the molecular formula C15H18N2S and a molecular weight of 258.39 g/mol. Its IUPAC name is 2-(3-methylphenyl)-4-piperidin-4-yl-1,3-thiazole.

Molecular Properties

Compound Name2-(3-methylphenyl)-4-piperidin-4-yl-1,3-thiazole
PubChem CID116888733
Molecular FormulaC15H18N2S
Molecular Weight258.39 g/mol
Exact Mass258.12
IUPAC Name2-(3-methylphenyl)-4-piperidin-4-yl-1,3-thiazole
SMILESCc1cccc(-c2nc(C3CCNCC3)cs2)c1
InChIInChI=1S/C15H18N2S/c1-11-3-2-4-13(9-11)15-17-14(10-18-15)12-5-7-16-8-6-12/h2-4,9-10,12,16H,5-8H2,1H3
InChIKeyPAGYCNGJOGTPCV-UHFFFAOYSA-N
XLogP3.59
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenyl)-4-cyclopropyl-1,3-thiazole
CID 112690258
2-(2-fluorophenyl)-4-piperidin-4-yl-1,3-thiazole
CID 116888734
4-(3-methylphenyl)-2-piperidin-3-yl-1,3-thiazole
CID 62540732
3-(4-cyclopropyl-1,3-thiazol-2-yl)benzoic acid
CID 63903085
N-methyl-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-pyrrolidin-3-ylacetamide;dihydrochloride
CID 119554455
4-[4-bromo-3-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine
CID 84604286
4-(3-bromophenyl)-2-(3-methylphenyl)-1,3-thiazole
CID 78913074
3,5-dimethyl-4-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-1,2-oxazole
CID 126793475
3-[2-(3-methylphenyl)-1,3-thiazol-4-yl]benzonitrile
CID 63152333
N-cyclopropyl-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 17438306
1-[2-(3-methylphenyl)-1,3-thiazol-4-yl]ethanone
CID 64543607
4-(dimethoxymethyl)-2-(3-methylphenyl)-1,3-thiazole
CID 66057136

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-4-piperidin-4-yl-1,3-thiazole?
The IUPAC name of 2-(3-methylphenyl)-4-piperidin-4-yl-1,3-thiazole (CID 116888733) is 2-(3-methylphenyl)-4-piperidin-4-yl-1,3-thiazole.
What is the SMILES notation for 2-(3-methylphenyl)-4-piperidin-4-yl-1,3-thiazole?
The canonical SMILES for 2-(3-methylphenyl)-4-piperidin-4-yl-1,3-thiazole is Cc1cccc(-c2nc(C3CCNCC3)cs2)c1.
What is the InChIKey of 2-(3-methylphenyl)-4-piperidin-4-yl-1,3-thiazole?
The InChIKey is PAGYCNGJOGTPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2S/c1-11-3-2-4-13(9-11)15-17-14(10-18-15)12-5-7-16-8-6-12/h2-4,9-10,12,16H,5-8H2,1H3.
What are the key properties of 2-(3-methylphenyl)-4-piperidin-4-yl-1,3-thiazole?
2-(3-methylphenyl)-4-piperidin-4-yl-1,3-thiazole has a molecular weight of 258.39 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-4-piperidin-4-yl-1,3-thiazole is sourced from PubChem (CID 116888733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).