N-methyl-2-(2-oxoazepan-1-yl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]acetamide

C19H23N3O2S — CID 56882158

IUPACN-methyl-2-(2-oxoazepan-1-yl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]acetamide
SMILESCN(Cc1csc(-c2ccccc2)n1)C(=O)CN1CCCCCC1=O
InChIInChI=1S/C19H23N3O2S/c1-21(18(24)13-22-11-7-3-6-10-17(22)23)12-16-14-25-19(20-16)15-8-4-2-5-9-15/h2,4-5,8-9,14H,3,6-7,10-13H2,1H3
InChIKeyQRMRPFQAAMWHIB-UHFFFAOYSA-N
MW357.48 g/mol
LogP3.17
Rot. Bonds5

About N-methyl-2-(2-oxoazepan-1-yl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]acetamide

N-methyl-2-(2-oxoazepan-1-yl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]acetamide (PubChem CID 56882158) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is N-methyl-2-(2-oxoazepan-1-yl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-(2-oxoazepan-1-yl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]acetamide
PubChem CID56882158
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC NameN-methyl-2-(2-oxoazepan-1-yl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]acetamide
SMILESCN(Cc1csc(-c2ccccc2)n1)C(=O)CN1CCCCCC1=O
InChIInChI=1S/C19H23N3O2S/c1-21(18(24)13-22-11-7-3-6-10-17(22)23)12-16-14-25-19(20-16)15-8-4-2-5-9-15/h2,4-5,8-9,14H,3,6-7,10-13H2,1H3
InChIKeyQRMRPFQAAMWHIB-UHFFFAOYSA-N
XLogP3.17
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetamide
CID 134049483
(3S)-5-oxo-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxylic acid
CID 95123541
N,N-dimethyl-2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]acetamide
CID 37105671
N-(3-aminopropyl)-N-benzyl-2-(2-oxoazocan-1-yl)acetamide
CID 120648217
3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]propanamide
CID 95875737
N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-2-(2-oxopyrrolidin-1-yl)acetamide
CID 72925004
2-[(4S)-4-benzyl-2-oxopyrrolidin-1-yl]-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 97285978
N-benzyl-N-cyclohexyl-2-(2-oxoazepan-1-yl)acetamide
CID 71890310
N-methyl-2-(4-oxo-1,3-thiazolidin-3-yl)-N-[(4-phenylphenyl)methyl]acetamide
CID 51113447
N,N-dimethyl-1-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]piperidine-4-carboxamide
CID 78779340
N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 25333543
N-methyl-2-(2-oxoazocan-1-yl)-N-(4-phenylcyclohexyl)acetamide
CID 55761544

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-oxoazepan-1-yl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]acetamide?
The IUPAC name of N-methyl-2-(2-oxoazepan-1-yl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]acetamide (CID 56882158) is N-methyl-2-(2-oxoazepan-1-yl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]acetamide.
What is the SMILES notation for N-methyl-2-(2-oxoazepan-1-yl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]acetamide?
The canonical SMILES for N-methyl-2-(2-oxoazepan-1-yl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]acetamide is CN(Cc1csc(-c2ccccc2)n1)C(=O)CN1CCCCCC1=O.
What is the InChIKey of N-methyl-2-(2-oxoazepan-1-yl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]acetamide?
The InChIKey is QRMRPFQAAMWHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-21(18(24)13-22-11-7-3-6-10-17(22)23)12-16-14-25-19(20-16)15-8-4-2-5-9-15/h2,4-5,8-9,14H,3,6-7,10-13H2,1H3.
What are the key properties of N-methyl-2-(2-oxoazepan-1-yl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]acetamide?
N-methyl-2-(2-oxoazepan-1-yl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]acetamide has a molecular weight of 357.48 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-oxoazepan-1-yl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]acetamide is sourced from PubChem (CID 56882158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).