2-cyclohexyl-N-[6-(3-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]acetamide

C19H22N4O2S — CID 108752671

IUPAC2-cyclohexyl-N-[6-(3-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]acetamide
SMILESCOc1cccc(-c2csc3nc(NC(=O)CC4CCCCC4)nn23)c1
InChIInChI=1S/C19H22N4O2S/c1-25-15-9-5-8-14(11-15)16-12-26-19-21-18(22-23(16)19)20-17(24)10-13-6-3-2-4-7-13/h5,8-9,11-13H,2-4,6-7,10H2,1H3,(H,20,22,24)
InChIKeyYWGYKYPFQWXWON-UHFFFAOYSA-N
MW370.48 g/mol
LogP4.38
Rot. Bonds5

About 2-cyclohexyl-N-[6-(3-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]acetamide

2-cyclohexyl-N-[6-(3-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]acetamide (PubChem CID 108752671) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is 2-cyclohexyl-N-[6-(3-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]acetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-[6-(3-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]acetamide
PubChem CID108752671
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC Name2-cyclohexyl-N-[6-(3-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]acetamide
SMILESCOc1cccc(-c2csc3nc(NC(=O)CC4CCCCC4)nn23)c1
InChIInChI=1S/C19H22N4O2S/c1-25-15-9-5-8-14(11-15)16-12-26-19-21-18(22-23(16)19)20-17(24)10-13-6-3-2-4-7-13/h5,8-9,11-13H,2-4,6-7,10H2,1H3,(H,20,22,24)
InChIKeyYWGYKYPFQWXWON-UHFFFAOYSA-N
XLogP4.38
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(3-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-phenylacetamide
CID 108752715
N-[6-(3-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]adamantane-1-carboxamide
CID 108728899
4-butyl-N-[6-(3-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]cyclohexane-1-carboxamide
CID 108728852
N-[2-[[6-(3-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]amino]-2-oxoethyl]benzamide
CID 108752703
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[6-(3-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]butanamide
CID 108810176
2-chloro-N-[6-(3-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzamide
CID 108752707
N-[6-(3-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]pyridine-3-carboxamide
CID 108752676
N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]propanamide
CID 108729059
2-chloro-N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]acetamide
CID 108729063
N-[6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-phenoxyacetamide
CID 108729017
N-[6-(3-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 108728950
2-cyclohexyl-N-[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]acetamide
CID 143879129

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[6-(3-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]acetamide?
The IUPAC name of 2-cyclohexyl-N-[6-(3-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]acetamide (CID 108752671) is 2-cyclohexyl-N-[6-(3-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]acetamide.
What is the SMILES notation for 2-cyclohexyl-N-[6-(3-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]acetamide?
The canonical SMILES for 2-cyclohexyl-N-[6-(3-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]acetamide is COc1cccc(-c2csc3nc(NC(=O)CC4CCCCC4)nn23)c1.
What is the InChIKey of 2-cyclohexyl-N-[6-(3-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]acetamide?
The InChIKey is YWGYKYPFQWXWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2S/c1-25-15-9-5-8-14(11-15)16-12-26-19-21-18(22-23(16)19)20-17(24)10-13-6-3-2-4-7-13/h5,8-9,11-13H,2-4,6-7,10H2,1H3,(H,20,22,24).
What are the key properties of 2-cyclohexyl-N-[6-(3-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]acetamide?
2-cyclohexyl-N-[6-(3-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]acetamide has a molecular weight of 370.48 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[6-(3-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]acetamide is sourced from PubChem (CID 108752671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).