N-[2-[1-[2-(2-amino-1,3-thiazol-4-yl)ethyl]triazol-4-yl]quinolin-6-yl]acetamide

C18H17N7OS — CID 72848435

IUPACN-[2-[1-[2-(2-amino-1,3-thiazol-4-yl)ethyl]triazol-4-yl]quinolin-6-yl]acetamide
SMILESCC(=O)Nc1ccc2nc(-c3cn(CCc4csc(N)n4)nn3)ccc2c1
InChIInChI=1S/C18H17N7OS/c1-11(26)20-13-3-5-15-12(8-13)2-4-16(22-15)17-9-25(24-23-17)7-6-14-10-27-18(19)21-14/h2-5,8-10H,6-7H2,1H3,(H2,19,21)(H,20,26)
InChIKeyXOECNWSVNCHERJ-UHFFFAOYSA-N
MW379.45 g/mol
LogP2.73
Rot. Bonds5

About N-[2-[1-[2-(2-amino-1,3-thiazol-4-yl)ethyl]triazol-4-yl]quinolin-6-yl]acetamide

N-[2-[1-[2-(2-amino-1,3-thiazol-4-yl)ethyl]triazol-4-yl]quinolin-6-yl]acetamide (PubChem CID 72848435) has the molecular formula C18H17N7OS and a molecular weight of 379.45 g/mol. Its IUPAC name is N-[2-[1-[2-(2-amino-1,3-thiazol-4-yl)ethyl]triazol-4-yl]quinolin-6-yl]acetamide.

Molecular Properties

Compound NameN-[2-[1-[2-(2-amino-1,3-thiazol-4-yl)ethyl]triazol-4-yl]quinolin-6-yl]acetamide
PubChem CID72848435
Molecular FormulaC18H17N7OS
Molecular Weight379.45 g/mol
Exact Mass379.12
IUPAC NameN-[2-[1-[2-(2-amino-1,3-thiazol-4-yl)ethyl]triazol-4-yl]quinolin-6-yl]acetamide
SMILESCC(=O)Nc1ccc2nc(-c3cn(CCc4csc(N)n4)nn3)ccc2c1
InChIInChI=1S/C18H17N7OS/c1-11(26)20-13-3-5-15-12(8-13)2-4-16(22-15)17-9-25(24-23-17)7-6-14-10-27-18(19)21-14/h2-5,8-10H,6-7H2,1H3,(H2,19,21)(H,20,26)
InChIKeyXOECNWSVNCHERJ-UHFFFAOYSA-N
XLogP2.73
TPSA111.61 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.45
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-[1-[(3R)-oxolan-3-yl]triazol-4-yl]quinolin-6-yl]acetamide
CID 97146797
4-[3-[4-(1-methylimidazol-2-yl)triazol-1-yl]propyl]-1,3-thiazol-2-amine
CID 72867929
4-[3-[4-(1-ethyl-3-methylpyrazol-4-yl)triazol-1-yl]propyl]-1,3-thiazol-2-amine
CID 72841713
N-[2-[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-2-yl]quinolin-6-yl]acetamide
CID 146040904
(2-phenylquinolin-6-yl)urea
CID 54532809
3-(2-amino-1,3-thiazol-4-yl)-N-(3-chloro-4-methylphenyl)propanamide
CID 110330184
N-[(2-amino-1,3-thiazol-4-yl)methyl]acetamide
CID 110717958
3-[1-[(2-acetamido-1,3-thiazol-4-yl)methyl]triazol-4-yl]propanoic acid
CID 107460976
1-[(2-acetamido-1,3-thiazol-4-yl)methyl]triazole-4-carboxylic acid
CID 62060397
2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]propanamide
CID 62798707
2-(2-amino-1,3-thiazol-4-yl)-N-(1-benzothiophen-5-yl)acetamide
CID 62798357
2-[2-(6-acetamidoquinolin-2-yl)-4-methylquinolin-7-yl]-N-methylacetamide
CID 169416962

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[2-(2-amino-1,3-thiazol-4-yl)ethyl]triazol-4-yl]quinolin-6-yl]acetamide?
The IUPAC name of N-[2-[1-[2-(2-amino-1,3-thiazol-4-yl)ethyl]triazol-4-yl]quinolin-6-yl]acetamide (CID 72848435) is N-[2-[1-[2-(2-amino-1,3-thiazol-4-yl)ethyl]triazol-4-yl]quinolin-6-yl]acetamide.
What is the SMILES notation for N-[2-[1-[2-(2-amino-1,3-thiazol-4-yl)ethyl]triazol-4-yl]quinolin-6-yl]acetamide?
The canonical SMILES for N-[2-[1-[2-(2-amino-1,3-thiazol-4-yl)ethyl]triazol-4-yl]quinolin-6-yl]acetamide is CC(=O)Nc1ccc2nc(-c3cn(CCc4csc(N)n4)nn3)ccc2c1.
What is the InChIKey of N-[2-[1-[2-(2-amino-1,3-thiazol-4-yl)ethyl]triazol-4-yl]quinolin-6-yl]acetamide?
The InChIKey is XOECNWSVNCHERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N7OS/c1-11(26)20-13-3-5-15-12(8-13)2-4-16(22-15)17-9-25(24-23-17)7-6-14-10-27-18(19)21-14/h2-5,8-10H,6-7H2,1H3,(H2,19,21)(H,20,26).
What are the key properties of N-[2-[1-[2-(2-amino-1,3-thiazol-4-yl)ethyl]triazol-4-yl]quinolin-6-yl]acetamide?
N-[2-[1-[2-(2-amino-1,3-thiazol-4-yl)ethyl]triazol-4-yl]quinolin-6-yl]acetamide has a molecular weight of 379.45 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[2-(2-amino-1,3-thiazol-4-yl)ethyl]triazol-4-yl]quinolin-6-yl]acetamide is sourced from PubChem (CID 72848435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).