[2-(2-methylphenyl)-1,3-thiazol-4-yl]-(2-methylpiperidin-1-yl)methanone

C17H20N2OS — CID 58924876

IUPAC[2-(2-methylphenyl)-1,3-thiazol-4-yl]-(2-methylpiperidin-1-yl)methanone
SMILESCc1ccccc1-c1nc(C(=O)N2CCCCC2C)cs1
InChIInChI=1S/C17H20N2OS/c1-12-7-3-4-9-14(12)16-18-15(11-21-16)17(20)19-10-6-5-8-13(19)2/h3-4,7,9,11,13H,5-6,8,10H2,1-2H3
InChIKeyIFFBVNHMDMJNKG-UHFFFAOYSA-N
MW300.43 g/mol
LogP4.13
Rot. Bonds2

About [2-(2-methylphenyl)-1,3-thiazol-4-yl]-(2-methylpiperidin-1-yl)methanone

[2-(2-methylphenyl)-1,3-thiazol-4-yl]-(2-methylpiperidin-1-yl)methanone (PubChem CID 58924876) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is [2-(2-methylphenyl)-1,3-thiazol-4-yl]-(2-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2-(2-methylphenyl)-1,3-thiazol-4-yl]-(2-methylpiperidin-1-yl)methanone
PubChem CID58924876
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC Name[2-(2-methylphenyl)-1,3-thiazol-4-yl]-(2-methylpiperidin-1-yl)methanone
SMILESCc1ccccc1-c1nc(C(=O)N2CCCCC2C)cs1
InChIInChI=1S/C17H20N2OS/c1-12-7-3-4-9-14(12)16-18-15(11-21-16)17(20)19-10-6-5-8-13(19)2/h3-4,7,9,11,13H,5-6,8,10H2,1-2H3
InChIKeyIFFBVNHMDMJNKG-UHFFFAOYSA-N
XLogP4.13
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-2-(aminomethyl)piperidin-1-yl]-[2-(2-methylphenyl)-1,3-thiazol-4-yl]methanone
CID 124573522
[2-(2,3-dichlorophenyl)-1,3-thiazol-4-yl]-(2-methylpyrrolidin-1-yl)methanone
CID 58924813
[2-(methylaminomethyl)pyrrolidin-1-yl]-[2-(2-methylphenyl)-1,3-thiazol-4-yl]methanone
CID 119651204
[2-(methylaminomethyl)pyrrolidin-1-yl]-[2-(2-methylphenyl)-1,3-thiazol-4-yl]methanone;hydrochloride
CID 119651203
1-[2-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]piperidine-2-carboxylic acid
CID 167911729
[2-(aminomethyl)-1,3-thiazol-4-yl]-(2-methylpiperidin-1-yl)methanone
CID 66376624
(2-methylpyrrolidin-1-yl)-[2-(1-oxido-5-phenylpyridin-1-ium-2-yl)-1,3-thiazol-4-yl]methanone
CID 24804195
(2-methylpiperidin-1-yl)-(2-piperidin-4-yl-1,3-thiazol-4-yl)methanone
CID 3875834
(3R,6S)-1-[2-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]-6-methylpiperidine-3-carboxamide
CID 95584881
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[2-(2-methylsulfanylphenyl)-1,3-thiazol-4-yl]methanone
CID 58924892
[2-(2,3-dichlorophenyl)-1,3-thiazol-4-yl]-(2-propylpiperidin-1-yl)methanone
CID 58924946
4-[(2S)-2-methylpyrrolidine-1-carbonyl]-1,3-thiazole-2-carboxamide
CID 141489183

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylphenyl)-1,3-thiazol-4-yl]-(2-methylpiperidin-1-yl)methanone?
The IUPAC name of [2-(2-methylphenyl)-1,3-thiazol-4-yl]-(2-methylpiperidin-1-yl)methanone (CID 58924876) is [2-(2-methylphenyl)-1,3-thiazol-4-yl]-(2-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [2-(2-methylphenyl)-1,3-thiazol-4-yl]-(2-methylpiperidin-1-yl)methanone?
The canonical SMILES for [2-(2-methylphenyl)-1,3-thiazol-4-yl]-(2-methylpiperidin-1-yl)methanone is Cc1ccccc1-c1nc(C(=O)N2CCCCC2C)cs1.
What is the InChIKey of [2-(2-methylphenyl)-1,3-thiazol-4-yl]-(2-methylpiperidin-1-yl)methanone?
The InChIKey is IFFBVNHMDMJNKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-12-7-3-4-9-14(12)16-18-15(11-21-16)17(20)19-10-6-5-8-13(19)2/h3-4,7,9,11,13H,5-6,8,10H2,1-2H3.
What are the key properties of [2-(2-methylphenyl)-1,3-thiazol-4-yl]-(2-methylpiperidin-1-yl)methanone?
[2-(2-methylphenyl)-1,3-thiazol-4-yl]-(2-methylpiperidin-1-yl)methanone has a molecular weight of 300.43 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylphenyl)-1,3-thiazol-4-yl]-(2-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 58924876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).