azepan-1-yl-[4-methyl-2-(2-pyridin-4-ylethyl)-1,3-thiazol-5-yl]methanone

C18H23N3OS — CID 110389446

IUPACazepan-1-yl-[4-methyl-2-(2-pyridin-4-ylethyl)-1,3-thiazol-5-yl]methanone
SMILESCc1nc(CCc2ccncc2)sc1C(=O)N1CCCCCC1
InChIInChI=1S/C18H23N3OS/c1-14-17(18(22)21-12-4-2-3-5-13-21)23-16(20-14)7-6-15-8-10-19-11-9-15/h8-11H,2-7,12-13H2,1H3
InChIKeyRCYBDVZPOVOKOY-UHFFFAOYSA-N
MW329.47 g/mol
LogP3.65
Rot. Bonds4

About azepan-1-yl-[4-methyl-2-(2-pyridin-4-ylethyl)-1,3-thiazol-5-yl]methanone

azepan-1-yl-[4-methyl-2-(2-pyridin-4-ylethyl)-1,3-thiazol-5-yl]methanone (PubChem CID 110389446) has the molecular formula C18H23N3OS and a molecular weight of 329.47 g/mol. Its IUPAC name is azepan-1-yl-[4-methyl-2-(2-pyridin-4-ylethyl)-1,3-thiazol-5-yl]methanone.

Molecular Properties

Compound Nameazepan-1-yl-[4-methyl-2-(2-pyridin-4-ylethyl)-1,3-thiazol-5-yl]methanone
PubChem CID110389446
Molecular FormulaC18H23N3OS
Molecular Weight329.47 g/mol
Exact Mass329.16
IUPAC Nameazepan-1-yl-[4-methyl-2-(2-pyridin-4-ylethyl)-1,3-thiazol-5-yl]methanone
SMILESCc1nc(CCc2ccncc2)sc1C(=O)N1CCCCCC1
InChIInChI=1S/C18H23N3OS/c1-14-17(18(22)21-12-4-2-3-5-13-21)23-16(20-14)7-6-15-8-10-19-11-9-15/h8-11H,2-7,12-13H2,1H3
InChIKeyRCYBDVZPOVOKOY-UHFFFAOYSA-N
XLogP3.65
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-methyl-2-(2-pyridin-4-ylethyl)-1,3-thiazol-5-yl]-(4-phenylpiperazin-1-yl)methanone
CID 110389428
[4-methyl-2-(piperidin-1-ylmethyl)-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone
CID 110387320
4-methyl-N-propan-2-yl-2-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide
CID 110389378
N,4-dimethyl-N-(2-pyridin-4-ylethyl)-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide
CID 110387096
[4-methyl-2-(morpholin-4-ylmethyl)-1,3-thiazol-5-yl]-piperidin-1-ylmethanone
CID 110387437
1-[4-[4-methyl-2-(piperidin-1-ylmethyl)-1,3-thiazole-5-carbonyl]piperazin-1-yl]ethanone
CID 110387336
4-methyl-N-(2-methylphenyl)-2-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide
CID 110389448
4-methyl-N-(3-methylbutyl)-2-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide
CID 110389441
[4-methyl-2-(2-pyridin-2-ylethyl)-1,3-thiazol-5-yl]-morpholin-4-ylmethanone
CID 110389286
(3-methylpiperidin-1-yl)-[4-methyl-2-(2-pyridin-2-ylethyl)-1,3-thiazol-5-yl]methanone
CID 110389338
1-[4-[4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carbonyl]piperazin-1-yl]ethanone
CID 110387071
N-(4-ethoxyphenyl)-4-methyl-2-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide
CID 110389468

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[4-methyl-2-(2-pyridin-4-ylethyl)-1,3-thiazol-5-yl]methanone?
The IUPAC name of azepan-1-yl-[4-methyl-2-(2-pyridin-4-ylethyl)-1,3-thiazol-5-yl]methanone (CID 110389446) is azepan-1-yl-[4-methyl-2-(2-pyridin-4-ylethyl)-1,3-thiazol-5-yl]methanone.
What is the SMILES notation for azepan-1-yl-[4-methyl-2-(2-pyridin-4-ylethyl)-1,3-thiazol-5-yl]methanone?
The canonical SMILES for azepan-1-yl-[4-methyl-2-(2-pyridin-4-ylethyl)-1,3-thiazol-5-yl]methanone is Cc1nc(CCc2ccncc2)sc1C(=O)N1CCCCCC1.
What is the InChIKey of azepan-1-yl-[4-methyl-2-(2-pyridin-4-ylethyl)-1,3-thiazol-5-yl]methanone?
The InChIKey is RCYBDVZPOVOKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3OS/c1-14-17(18(22)21-12-4-2-3-5-13-21)23-16(20-14)7-6-15-8-10-19-11-9-15/h8-11H,2-7,12-13H2,1H3.
What are the key properties of azepan-1-yl-[4-methyl-2-(2-pyridin-4-ylethyl)-1,3-thiazol-5-yl]methanone?
azepan-1-yl-[4-methyl-2-(2-pyridin-4-ylethyl)-1,3-thiazol-5-yl]methanone has a molecular weight of 329.47 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-[4-methyl-2-(2-pyridin-4-ylethyl)-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 110389446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).