2-(1-ethyltriazol-4-yl)-N-[4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]acetamide

C13H15N7OS — CID 167813319

IUPAC2-(1-ethyltriazol-4-yl)-N-[4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]acetamide
SMILESCCn1cc(CC(=O)Nc2nc(-c3ccnn3C)cs2)nn1
InChIInChI=1S/C13H15N7OS/c1-3-20-7-9(17-18-20)6-12(21)16-13-15-10(8-22-13)11-4-5-14-19(11)2/h4-5,7-8H,3,6H2,1-2H3,(H,15,16,21)
InChIKeyQOSFHZCTXCTPAP-UHFFFAOYSA-N
MW317.38 g/mol
LogP1.34
Rot. Bonds5

About 2-(1-ethyltriazol-4-yl)-N-[4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]acetamide

2-(1-ethyltriazol-4-yl)-N-[4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]acetamide (PubChem CID 167813319) has the molecular formula C13H15N7OS and a molecular weight of 317.38 g/mol. Its IUPAC name is 2-(1-ethyltriazol-4-yl)-N-[4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(1-ethyltriazol-4-yl)-N-[4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]acetamide
PubChem CID167813319
Molecular FormulaC13H15N7OS
Molecular Weight317.38 g/mol
Exact Mass317.11
IUPAC Name2-(1-ethyltriazol-4-yl)-N-[4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]acetamide
SMILESCCn1cc(CC(=O)Nc2nc(-c3ccnn3C)cs2)nn1
InChIInChI=1S/C13H15N7OS/c1-3-20-7-9(17-18-20)6-12(21)16-13-15-10(8-22-13)11-4-5-14-19(11)2/h4-5,7-8H,3,6H2,1-2H3,(H,15,16,21)
InChIKeyQOSFHZCTXCTPAP-UHFFFAOYSA-N
XLogP1.34
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.38
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-[3-[[4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]pyrazole-3-carboxylic acid
CID 19470836
(3aR,6aS)-N-[4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]-2,2-dioxo-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophene-5-carboxamide
CID 167896651
(1R,5S)-6-methyl-N-[4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]-3-azabicyclo[3.1.0]hexane-3-carboxamide
CID 167939990
2-[2-[[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19485698
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-(1-methyltetrazol-5-yl)acetamide
CID 110503150
4-[(3-methoxyphenoxy)methyl]-N-[4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 19500970
1-[4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]-3-[[(1S,2R,4S,5S,6S)-8-oxatricyclo[3.2.1.02,4]octan-6-yl]methyl]urea
CID 167901737
N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-2-methylpyrazole-3-carboxamide
CID 64558266
2-(2-methyl-1,3-thiazol-4-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 29456306
2-[5-[[4-(1,5-dimethylpyrazol-4-yl)-1,3-thiazol-2-yl]carbamoyl]pyrazol-1-yl]acetic acid
CID 19482663
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-methylpyrazole-3-carboxamide
CID 42110479
N-[2-[[4-(3-cyanophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide
CID 154669291

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyltriazol-4-yl)-N-[4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(1-ethyltriazol-4-yl)-N-[4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]acetamide (CID 167813319) is 2-(1-ethyltriazol-4-yl)-N-[4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(1-ethyltriazol-4-yl)-N-[4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(1-ethyltriazol-4-yl)-N-[4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]acetamide is CCn1cc(CC(=O)Nc2nc(-c3ccnn3C)cs2)nn1.
What is the InChIKey of 2-(1-ethyltriazol-4-yl)-N-[4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is QOSFHZCTXCTPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N7OS/c1-3-20-7-9(17-18-20)6-12(21)16-13-15-10(8-22-13)11-4-5-14-19(11)2/h4-5,7-8H,3,6H2,1-2H3,(H,15,16,21).
What are the key properties of 2-(1-ethyltriazol-4-yl)-N-[4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]acetamide?
2-(1-ethyltriazol-4-yl)-N-[4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 317.38 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyltriazol-4-yl)-N-[4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 167813319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).