2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[2-(3-phenylpiperidin-1-yl)ethyl]acetamide

C20H27N3OS — CID 91834161

IUPAC2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[2-(3-phenylpiperidin-1-yl)ethyl]acetamide
SMILESCc1nc(CC(=O)NCCN2CCCC(c3ccccc3)C2)c(C)s1
InChIInChI=1S/C20H27N3OS/c1-15-19(22-16(2)25-15)13-20(24)21-10-12-23-11-6-9-18(14-23)17-7-4-3-5-8-17/h3-5,7-8,18H,6,9-14H2,1-2H3,(H,21,24)
InChIKeyROLGYSYYRBNNMR-UHFFFAOYSA-N
MW357.52 g/mol
LogP3.30
Rot. Bonds6

About 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[2-(3-phenylpiperidin-1-yl)ethyl]acetamide

2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[2-(3-phenylpiperidin-1-yl)ethyl]acetamide (PubChem CID 91834161) has the molecular formula C20H27N3OS and a molecular weight of 357.52 g/mol. Its IUPAC name is 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[2-(3-phenylpiperidin-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[2-(3-phenylpiperidin-1-yl)ethyl]acetamide
PubChem CID91834161
Molecular FormulaC20H27N3OS
Molecular Weight357.52 g/mol
Exact Mass357.19
IUPAC Name2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[2-(3-phenylpiperidin-1-yl)ethyl]acetamide
SMILESCc1nc(CC(=O)NCCN2CCCC(c3ccccc3)C2)c(C)s1
InChIInChI=1S/C20H27N3OS/c1-15-19(22-16(2)25-15)13-20(24)21-10-12-23-11-6-9-18(14-23)17-7-4-3-5-8-17/h3-5,7-8,18H,6,9-14H2,1-2H3,(H,21,24)
InChIKeyROLGYSYYRBNNMR-UHFFFAOYSA-N
XLogP3.30
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.52
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-2-methyl-N-[2-[(3S)-3-phenylpiperidin-1-yl]ethyl]-1,3-thiazole-5-carboxamide
CID 99946457
2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 143940533
2,6-dimethyl-N-[2-(3-phenylpiperidin-1-yl)ethyl]pyridine-4-carboxamide
CID 77085424
2-methylsulfonyl-N-[2-[(3R)-3-phenylpiperidin-1-yl]ethyl]acetamide
CID 95230194
N-[2-(3-phenylpiperidin-1-yl)ethyl]-2-(3,4,5-trimethylpyrazol-1-yl)acetamide
CID 77086601
N-[2-[(3S)-3-phenylpiperidin-1-yl]ethyl]-1H-imidazole-2-carboxamide
CID 95193540
2-cyclopropyl-N-[2-(3-phenylpiperidin-1-yl)ethyl]pyrimidine-5-carboxamide
CID 131915442
N-[2-(3-phenylpiperidin-1-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 72921846
N-[2-(3-phenylpiperidin-1-yl)ethyl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide
CID 74249904
1,4-dimethyl-N-[2-[(3S)-3-phenylpiperidin-1-yl]ethyl]indole-2-carboxamide
CID 99945532
1,4-dimethyl-N-[2-(3-phenylpiperidin-1-yl)ethyl]indole-2-carboxamide
CID 77092346
4-(2-hydroxyethyl)-N-[2-(3-phenylpiperidin-1-yl)ethyl]piperazine-1-carboxamide
CID 121495919

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[2-(3-phenylpiperidin-1-yl)ethyl]acetamide?
The IUPAC name of 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[2-(3-phenylpiperidin-1-yl)ethyl]acetamide (CID 91834161) is 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[2-(3-phenylpiperidin-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[2-(3-phenylpiperidin-1-yl)ethyl]acetamide?
The canonical SMILES for 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[2-(3-phenylpiperidin-1-yl)ethyl]acetamide is Cc1nc(CC(=O)NCCN2CCCC(c3ccccc3)C2)c(C)s1.
What is the InChIKey of 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[2-(3-phenylpiperidin-1-yl)ethyl]acetamide?
The InChIKey is ROLGYSYYRBNNMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3OS/c1-15-19(22-16(2)25-15)13-20(24)21-10-12-23-11-6-9-18(14-23)17-7-4-3-5-8-17/h3-5,7-8,18H,6,9-14H2,1-2H3,(H,21,24).
What are the key properties of 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[2-(3-phenylpiperidin-1-yl)ethyl]acetamide?
2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[2-(3-phenylpiperidin-1-yl)ethyl]acetamide has a molecular weight of 357.52 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[2-(3-phenylpiperidin-1-yl)ethyl]acetamide is sourced from PubChem (CID 91834161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).