N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-3-(2-oxoazepan-1-yl)propanamide

C20H25N3O2S — CID 131911007

IUPACN-[(2-benzyl-1,3-thiazol-4-yl)methyl]-3-(2-oxoazepan-1-yl)propanamide
SMILESO=C(CCN1CCCCCC1=O)NCc1csc(Cc2ccccc2)n1
InChIInChI=1S/C20H25N3O2S/c24-18(10-12-23-11-6-2-5-9-20(23)25)21-14-17-15-26-19(22-17)13-16-7-3-1-4-8-16/h1,3-4,7-8,15H,2,5-6,9-14H2,(H,21,24)
InChIKeyXWKKEDDNAXGESK-UHFFFAOYSA-N
MW371.51 g/mol
LogP3.14
Rot. Bonds7

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

N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-3-(2-oxoazepan-1-yl)propanamide (PubChem CID 131911007) has the molecular formula C20H25N3O2S and a molecular weight of 371.51 g/mol. Its IUPAC name is N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-3-(2-oxoazepan-1-yl)propanamide.

Molecular Properties

Compound NameN-[(2-benzyl-1,3-thiazol-4-yl)methyl]-3-(2-oxoazepan-1-yl)propanamide
PubChem CID131911007
Molecular FormulaC20H25N3O2S
Molecular Weight371.51 g/mol
Exact Mass371.17
IUPAC NameN-[(2-benzyl-1,3-thiazol-4-yl)methyl]-3-(2-oxoazepan-1-yl)propanamide
SMILESO=C(CCN1CCCCCC1=O)NCc1csc(Cc2ccccc2)n1
InChIInChI=1S/C20H25N3O2S/c24-18(10-12-23-11-6-2-5-9-20(23)25)21-14-17-15-26-19(22-17)13-16-7-3-1-4-8-16/h1,3-4,7-8,15H,2,5-6,9-14H2,(H,21,24)
InChIKeyXWKKEDDNAXGESK-UHFFFAOYSA-N
XLogP3.14
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(2-oxoazepan-1-yl)propyl]-2-[2-(pyridin-2-ylmethyl)-1,3-thiazol-4-yl]acetamide
CID 47044907
2-(2-benzyl-1,3-thiazol-4-yl)-N-(3-oxo-3-piperidin-1-ylpropyl)acetamide
CID 55803185
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 108737687
N-(1,3-benzothiazol-7-ylmethyl)-3-(2-oxoazepan-1-yl)propanamide
CID 163305092
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-phenoxyacetamide
CID 108737586
1-[2-[4-(chloromethyl)-1,3-thiazol-2-yl]ethyl]azepan-2-one
CID 43138414
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-(3,5-difluorophenyl)acetamide
CID 86284851
1-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]azepan-2-one
CID 43138413
N-[[4-(1,2,4-oxadiazol-3-yl)phenyl]methyl]-3-(2-oxoazepan-1-yl)propanamide
CID 118773460
N-[(4-benzyl-1,3-thiazol-2-yl)methyl]-4-[4-(2-chlorophenyl)piperazin-1-yl]-4-oxobutanamide
CID 70330287
prop-2-enyl N-[(2-benzyl-1,3-thiazol-4-yl)methyl]carbamate
CID 108737641
2-(2-benzyl-1,3-thiazol-4-yl)-N-[2-(cycloheptylamino)ethyl]acetamide
CID 119619930

Frequently Asked Questions

What is the IUPAC name of N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-3-(2-oxoazepan-1-yl)propanamide?
The IUPAC name of N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-3-(2-oxoazepan-1-yl)propanamide (CID 131911007) is N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-3-(2-oxoazepan-1-yl)propanamide.
What is the SMILES notation for N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-3-(2-oxoazepan-1-yl)propanamide?
The canonical SMILES for N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-3-(2-oxoazepan-1-yl)propanamide is O=C(CCN1CCCCCC1=O)NCc1csc(Cc2ccccc2)n1.
What is the InChIKey of N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-3-(2-oxoazepan-1-yl)propanamide?
The InChIKey is XWKKEDDNAXGESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2S/c24-18(10-12-23-11-6-2-5-9-20(23)25)21-14-17-15-26-19(22-17)13-16-7-3-1-4-8-16/h1,3-4,7-8,15H,2,5-6,9-14H2,(H,21,24).
What are the key properties of N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-3-(2-oxoazepan-1-yl)propanamide?
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-3-(2-oxoazepan-1-yl)propanamide has a molecular weight of 371.51 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-3-(2-oxoazepan-1-yl)propanamide is sourced from PubChem (CID 131911007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).