N-[3-(2-oxoazepan-1-yl)propyl]-2-[2-(pyridin-2-ylmethyl)-1,3-thiazol-4-yl]acetamide

C20H26N4O2S — CID 47044907

IUPACN-[3-(2-oxoazepan-1-yl)propyl]-2-[2-(pyridin-2-ylmethyl)-1,3-thiazol-4-yl]acetamide
SMILESO=C(Cc1csc(Cc2ccccn2)n1)NCCCN1CCCCCC1=O
InChIInChI=1S/C20H26N4O2S/c25-18(22-10-6-12-24-11-5-1-2-8-20(24)26)13-17-15-27-19(23-17)14-16-7-3-4-9-21-16/h3-4,7,9,15H,1-2,5-6,8,10-14H2,(H,22,25)
InChIKeyXESUJSOCTIQCQG-UHFFFAOYSA-N
MW386.52 g/mol
LogP2.58
Rot. Bonds8

About N-[3-(2-oxoazepan-1-yl)propyl]-2-[2-(pyridin-2-ylmethyl)-1,3-thiazol-4-yl]acetamide

N-[3-(2-oxoazepan-1-yl)propyl]-2-[2-(pyridin-2-ylmethyl)-1,3-thiazol-4-yl]acetamide (PubChem CID 47044907) has the molecular formula C20H26N4O2S and a molecular weight of 386.52 g/mol. Its IUPAC name is N-[3-(2-oxoazepan-1-yl)propyl]-2-[2-(pyridin-2-ylmethyl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[3-(2-oxoazepan-1-yl)propyl]-2-[2-(pyridin-2-ylmethyl)-1,3-thiazol-4-yl]acetamide
PubChem CID47044907
Molecular FormulaC20H26N4O2S
Molecular Weight386.52 g/mol
Exact Mass386.18
IUPAC NameN-[3-(2-oxoazepan-1-yl)propyl]-2-[2-(pyridin-2-ylmethyl)-1,3-thiazol-4-yl]acetamide
SMILESO=C(Cc1csc(Cc2ccccn2)n1)NCCCN1CCCCCC1=O
InChIInChI=1S/C20H26N4O2S/c25-18(22-10-6-12-24-11-5-1-2-8-20(24)26)13-17-15-27-19(23-17)14-16-7-3-4-9-21-16/h3-4,7,9,15H,1-2,5-6,8,10-14H2,(H,22,25)
InChIKeyXESUJSOCTIQCQG-UHFFFAOYSA-N
XLogP2.58
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-(2-oxoazepan-1-yl)propyl]-3-(pyridin-2-ylmethyl)urea
CID 134061158
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-3-(2-oxoazepan-1-yl)propanamide
CID 131911007
N-[2-oxo-2-[3-(2-oxoazepan-1-yl)propylamino]ethyl]-2-phenylacetamide
CID 78802507
2-methyl-N-[4-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl]-1,3-thiazol-2-yl]propanamide
CID 87002042
2-[2-(pyridin-2-ylmethyl)-1,3-thiazol-4-yl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 47029385
1-ethyl-3-[3-(2-oxoazepan-1-yl)propyl]-2-(pyridin-2-ylmethyl)guanidine
CID 110970083
2-(2-nitrophenyl)-N-[3-(2-oxoazepan-1-yl)propyl]acetamide
CID 78802483
N-[2-(2-oxopiperidin-1-yl)ethyl]pyridine-2-carboxamide
CID 110743641
N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(4-phenylphenyl)acetamide
CID 27258939
N-[3-(2-oxoazepan-1-yl)propyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 46537541
2-chloro-N-[3-(2-oxoazepan-1-yl)propyl]acetamide
CID 54592450
2-(2-benzyl-1,3-thiazol-4-yl)-N-(3-oxo-3-piperidin-1-ylpropyl)acetamide
CID 55803185

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-oxoazepan-1-yl)propyl]-2-[2-(pyridin-2-ylmethyl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-[3-(2-oxoazepan-1-yl)propyl]-2-[2-(pyridin-2-ylmethyl)-1,3-thiazol-4-yl]acetamide (CID 47044907) is N-[3-(2-oxoazepan-1-yl)propyl]-2-[2-(pyridin-2-ylmethyl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-[3-(2-oxoazepan-1-yl)propyl]-2-[2-(pyridin-2-ylmethyl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-[3-(2-oxoazepan-1-yl)propyl]-2-[2-(pyridin-2-ylmethyl)-1,3-thiazol-4-yl]acetamide is O=C(Cc1csc(Cc2ccccn2)n1)NCCCN1CCCCCC1=O.
What is the InChIKey of N-[3-(2-oxoazepan-1-yl)propyl]-2-[2-(pyridin-2-ylmethyl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is XESUJSOCTIQCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2S/c25-18(22-10-6-12-24-11-5-1-2-8-20(24)26)13-17-15-27-19(23-17)14-16-7-3-4-9-21-16/h3-4,7,9,15H,1-2,5-6,8,10-14H2,(H,22,25).
What are the key properties of N-[3-(2-oxoazepan-1-yl)propyl]-2-[2-(pyridin-2-ylmethyl)-1,3-thiazol-4-yl]acetamide?
N-[3-(2-oxoazepan-1-yl)propyl]-2-[2-(pyridin-2-ylmethyl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 386.52 g/mol, XLogP of 2.58, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-oxoazepan-1-yl)propyl]-2-[2-(pyridin-2-ylmethyl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 47044907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).