2-(4-acetamidophenyl)-N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)acetamide

C16H17N5O2S — CID 108727720

IUPAC2-(4-acetamidophenyl)-N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)acetamide
SMILESCC(=O)Nc1ccc(CC(=O)Nc2nc3sc(C)c(C)n3n2)cc1
InChIInChI=1S/C16H17N5O2S/c1-9-10(2)24-16-19-15(20-21(9)16)18-14(23)8-12-4-6-13(7-5-12)17-11(3)22/h4-7H,8H2,1-3H3,(H,17,22)(H,18,20,23)
InChIKeyOEMVXJKDNQYCPZ-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.55
Rot. Bonds4

About 2-(4-acetamidophenyl)-N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)acetamide

2-(4-acetamidophenyl)-N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)acetamide (PubChem CID 108727720) has the molecular formula C16H17N5O2S and a molecular weight of 343.41 g/mol. Its IUPAC name is 2-(4-acetamidophenyl)-N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-acetamidophenyl)-N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)acetamide
PubChem CID108727720
Molecular FormulaC16H17N5O2S
Molecular Weight343.41 g/mol
Exact Mass343.11
IUPAC Name2-(4-acetamidophenyl)-N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)acetamide
SMILESCC(=O)Nc1ccc(CC(=O)Nc2nc3sc(C)c(C)n3n2)cc1
InChIInChI=1S/C16H17N5O2S/c1-9-10(2)24-16-19-15(20-21(9)16)18-14(23)8-12-4-6-13(7-5-12)17-11(3)22/h4-7H,8H2,1-3H3,(H,17,22)(H,18,20,23)
InChIKeyOEMVXJKDNQYCPZ-UHFFFAOYSA-N
XLogP2.55
TPSA88.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-2-(4-fluorophenyl)acetamide
CID 108751609
3-(4-chlorophenyl)-N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)propanamide
CID 108727655
phenyl N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)carbamate
CID 108727693
(E)-3-(3,4-dichlorophenyl)-N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)prop-2-enamide
CID 108751687
2-(4-chloro-3,5-dimethylphenoxy)-N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)acetamide
CID 108751712
N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-4-propan-2-ylbenzamide
CID 108727684
prop-2-enyl N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)carbamate
CID 108727687
2-(4-acetamidophenyl)-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 27990329
2-(4-acetamidophenyl)-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]acetamide
CID 42008793
N-[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-3-(4-chlorophenyl)propanamide
CID 108729177
N-[6-(4-acetamidophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]-2-methoxyacetamide
CID 108729264
N-[4-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]-2-phenylacetamide
CID 953912

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenyl)-N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)acetamide?
The IUPAC name of 2-(4-acetamidophenyl)-N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)acetamide (CID 108727720) is 2-(4-acetamidophenyl)-N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-acetamidophenyl)-N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)acetamide?
The canonical SMILES for 2-(4-acetamidophenyl)-N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)acetamide is CC(=O)Nc1ccc(CC(=O)Nc2nc3sc(C)c(C)n3n2)cc1.
What is the InChIKey of 2-(4-acetamidophenyl)-N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)acetamide?
The InChIKey is OEMVXJKDNQYCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2S/c1-9-10(2)24-16-19-15(20-21(9)16)18-14(23)8-12-4-6-13(7-5-12)17-11(3)22/h4-7H,8H2,1-3H3,(H,17,22)(H,18,20,23).
What are the key properties of 2-(4-acetamidophenyl)-N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)acetamide?
2-(4-acetamidophenyl)-N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)acetamide has a molecular weight of 343.41 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenyl)-N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)acetamide is sourced from PubChem (CID 108727720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).