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

C15H18N2S — CID 62540732

IUPAC4-(3-methylphenyl)-2-piperidin-3-yl-1,3-thiazole
SMILESCc1cccc(-c2csc(C3CCCNC3)n2)c1
InChIInChI=1S/C15H18N2S/c1-11-4-2-5-12(8-11)14-10-18-15(17-14)13-6-3-7-16-9-13/h2,4-5,8,10,13,16H,3,6-7,9H2,1H3
InChIKeyOJIRXNPEYOMYQA-UHFFFAOYSA-N
MW258.39 g/mol
LogP3.59
Rot. Bonds2

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

4-(3-methylphenyl)-2-piperidin-3-yl-1,3-thiazole (PubChem CID 62540732) has the molecular formula C15H18N2S and a molecular weight of 258.39 g/mol. Its IUPAC name is 4-(3-methylphenyl)-2-piperidin-3-yl-1,3-thiazole.

Molecular Properties

Compound Name4-(3-methylphenyl)-2-piperidin-3-yl-1,3-thiazole
PubChem CID62540732
Molecular FormulaC15H18N2S
Molecular Weight258.39 g/mol
Exact Mass258.12
IUPAC Name4-(3-methylphenyl)-2-piperidin-3-yl-1,3-thiazole
SMILESCc1cccc(-c2csc(C3CCCNC3)n2)c1
InChIInChI=1S/C15H18N2S/c1-11-4-2-5-12(8-11)14-10-18-15(17-14)13-6-3-7-16-9-13/h2,4-5,8,10,13,16H,3,6-7,9H2,1H3
InChIKeyOJIRXNPEYOMYQA-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

4-(4-methylphenyl)-2-pyrrolidin-3-yl-1,3-thiazole
CID 116965359
4-(3-fluorophenyl)-2-pyrrolidin-3-yl-1,3-thiazole
CID 116965376
4-(4-bromophenyl)-2-piperidin-3-yl-1,3-thiazole
CID 62541961
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperidin-3-yl-1,3-thiazole
CID 62541597
2-piperidin-3-yl-4-(2,4,5-trimethylphenyl)-1,3-thiazole
CID 62795975
4-methyl-2-[(3S)-piperidin-3-yl]-1,3-thiazole
CID 42078596
2,4-dimethyl-5-(2-piperidin-3-yl-1,3-thiazol-4-yl)-1,3-thiazole
CID 55242521
4-(2,5-dichlorophenyl)-2-piperidin-3-yl-1,3-thiazole
CID 62541775
2-methyl-5-(3-methylphenyl)-4-piperidin-3-ylpyrimidine
CID 118760474
3-[4-bromo-3-(3-methylphenyl)-1H-pyrazol-5-yl]piperidine
CID 84604305
4-(2,5-dimethoxyphenyl)-2-piperidin-3-yl-1,3-thiazole
CID 62539832
2-piperidin-3-yl-1,3-thiazol-4-ol
CID 83684160

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylphenyl)-2-piperidin-3-yl-1,3-thiazole?
The IUPAC name of 4-(3-methylphenyl)-2-piperidin-3-yl-1,3-thiazole (CID 62540732) is 4-(3-methylphenyl)-2-piperidin-3-yl-1,3-thiazole.
What is the SMILES notation for 4-(3-methylphenyl)-2-piperidin-3-yl-1,3-thiazole?
The canonical SMILES for 4-(3-methylphenyl)-2-piperidin-3-yl-1,3-thiazole is Cc1cccc(-c2csc(C3CCCNC3)n2)c1.
What is the InChIKey of 4-(3-methylphenyl)-2-piperidin-3-yl-1,3-thiazole?
The InChIKey is OJIRXNPEYOMYQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2S/c1-11-4-2-5-12(8-11)14-10-18-15(17-14)13-6-3-7-16-9-13/h2,4-5,8,10,13,16H,3,6-7,9H2,1H3.
What are the key properties of 4-(3-methylphenyl)-2-piperidin-3-yl-1,3-thiazole?
4-(3-methylphenyl)-2-piperidin-3-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 4-(3-methylphenyl)-2-piperidin-3-yl-1,3-thiazole is sourced from PubChem (CID 62540732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).