1-(azepan-1-yl)-2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)ethanone

C17H21N3OS — CID 110328975

IUPAC1-(azepan-1-yl)-2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)ethanone
SMILESCc1nc(-c2ccccn2)sc1CC(=O)N1CCCCCC1
InChIInChI=1S/C17H21N3OS/c1-13-15(12-16(21)20-10-6-2-3-7-11-20)22-17(19-13)14-8-4-5-9-18-14/h4-5,8-9H,2-3,6-7,10-12H2,1H3
InChIKeyXQKPNLDOMCSEJR-UHFFFAOYSA-N
MW315.44 g/mol
LogP3.46
Rot. Bonds3

About 1-(azepan-1-yl)-2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)ethanone

1-(azepan-1-yl)-2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)ethanone (PubChem CID 110328975) has the molecular formula C17H21N3OS and a molecular weight of 315.44 g/mol. Its IUPAC name is 1-(azepan-1-yl)-2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(azepan-1-yl)-2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)ethanone
PubChem CID110328975
Molecular FormulaC17H21N3OS
Molecular Weight315.44 g/mol
Exact Mass315.14
IUPAC Name1-(azepan-1-yl)-2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)ethanone
SMILESCc1nc(-c2ccccn2)sc1CC(=O)N1CCCCCC1
InChIInChI=1S/C17H21N3OS/c1-13-15(12-16(21)20-10-6-2-3-7-11-20)22-17(19-13)14-8-4-5-9-18-14/h4-5,8-9H,2-3,6-7,10-12H2,1H3
InChIKeyXQKPNLDOMCSEJR-UHFFFAOYSA-N
XLogP3.46
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)ethanone
CID 110328952
2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-1-piperidin-1-ylethanone
CID 110328829
N-cyclopropyl-2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)acetamide
CID 110328901
N-benzyl-2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)acetamide
CID 110328924
N-butyl-2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)acetamide
CID 110328903
2-pyridin-2-yl-5-(pyrrolidin-1-ylmethyl)-1,3-thiazole-4-carboxylic acid
CID 82069071
N-(3,4-dimethylphenyl)-2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)acetamide
CID 110328985
N-(2,5-dimethylphenyl)-2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)acetamide
CID 110328984
N-(3-fluorophenyl)-2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)acetamide
CID 110329008
(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)-(4-propan-2-yl-1,4-diazepan-1-yl)methanone
CID 59338745
N-[(3-methylphenyl)methyl]-2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)acetamide
CID 110328926
(3S)-1-(4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carbonyl)pyrrolidine-3-carboxamide
CID 95137194

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-1-yl)-2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)ethanone?
The IUPAC name of 1-(azepan-1-yl)-2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)ethanone (CID 110328975) is 1-(azepan-1-yl)-2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)ethanone.
What is the SMILES notation for 1-(azepan-1-yl)-2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)ethanone?
The canonical SMILES for 1-(azepan-1-yl)-2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)ethanone is Cc1nc(-c2ccccn2)sc1CC(=O)N1CCCCCC1.
What is the InChIKey of 1-(azepan-1-yl)-2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)ethanone?
The InChIKey is XQKPNLDOMCSEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS/c1-13-15(12-16(21)20-10-6-2-3-7-11-20)22-17(19-13)14-8-4-5-9-18-14/h4-5,8-9H,2-3,6-7,10-12H2,1H3.
What are the key properties of 1-(azepan-1-yl)-2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)ethanone?
1-(azepan-1-yl)-2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)ethanone has a molecular weight of 315.44 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-1-yl)-2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)ethanone is sourced from PubChem (CID 110328975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).