2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1-piperidin-1-ylethanone

C17H20N2OS — CID 110328829

IUPAC2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1-piperidin-1-ylethanone
SMILESCc1nc(-c2ccccc2)sc1CC(=O)N1CCCCC1
InChIInChI=1S/C17H20N2OS/c1-13-15(12-16(20)19-10-6-3-7-11-19)21-17(18-13)14-8-4-2-5-9-14/h2,4-5,8-9H,3,6-7,10-12H2,1H3
InChIKeyZBVDYYBFQPEIKB-UHFFFAOYSA-N
MW300.43 g/mol
LogP3.67
Rot. Bonds3

About 2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1-piperidin-1-ylethanone

2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1-piperidin-1-ylethanone (PubChem CID 110328829) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is 2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1-piperidin-1-ylethanone
PubChem CID110328829
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC Name2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1-piperidin-1-ylethanone
SMILESCc1nc(-c2ccccc2)sc1CC(=O)N1CCCCC1
InChIInChI=1S/C17H20N2OS/c1-13-15(12-16(20)19-10-6-3-7-11-19)21-17(18-13)14-8-4-2-5-9-14/h2,4-5,8-9H,3,6-7,10-12H2,1H3
InChIKeyZBVDYYBFQPEIKB-UHFFFAOYSA-N
XLogP3.67
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(azepan-1-yl)-2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)ethanone
CID 110328975
2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-1-morpholin-4-ylethanone
CID 110329331
2-[4-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 30469221
ethyl 4-[2-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)acetyl]piperazine-1-carboxylate
CID 110329199
2-[4-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 46637225
2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-1-piperidin-1-ylethanone
CID 53031115
N,N-diethyl-2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)acetamide
CID 110328872
2-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)-1-pyrrolidin-1-ylethanone
CID 110848615
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 110329554
1-(azepan-1-yl)-2-(5,7-dimethyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanone
CID 50750374
(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanamine
CID 2795495
2-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethylamino]-1-pyrrolidin-1-ylethanone
CID 141089138

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1-piperidin-1-ylethanone?
The IUPAC name of 2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1-piperidin-1-ylethanone (CID 110328829) is 2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1-piperidin-1-ylethanone?
The canonical SMILES for 2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1-piperidin-1-ylethanone is Cc1nc(-c2ccccc2)sc1CC(=O)N1CCCCC1.
What is the InChIKey of 2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1-piperidin-1-ylethanone?
The InChIKey is ZBVDYYBFQPEIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-13-15(12-16(20)19-10-6-3-7-11-19)21-17(18-13)14-8-4-2-5-9-14/h2,4-5,8-9H,3,6-7,10-12H2,1H3.
What are the key properties of 2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1-piperidin-1-ylethanone?
2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1-piperidin-1-ylethanone has a molecular weight of 300.43 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1-piperidin-1-ylethanone is sourced from PubChem (CID 110328829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).