2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]acetamide

C13H19N5OS — CID 122566164

IUPAC2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]acetamide
SMILESCCC(NC(=O)Cc1sc(C)nc1C)c1ncnn1C
InChIInChI=1S/C13H19N5OS/c1-5-10(13-14-7-15-18(13)4)17-12(19)6-11-8(2)16-9(3)20-11/h7,10H,5-6H2,1-4H3,(H,17,19)
InChIKeyXWQGMCOUKPMTNW-UHFFFAOYSA-N
MW293.40 g/mol
LogP1.70
Rot. Bonds5

About 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]acetamide

2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]acetamide (PubChem CID 122566164) has the molecular formula C13H19N5OS and a molecular weight of 293.40 g/mol. Its IUPAC name is 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]acetamide
PubChem CID122566164
Molecular FormulaC13H19N5OS
Molecular Weight293.40 g/mol
Exact Mass293.13
IUPAC Name2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]acetamide
SMILESCCC(NC(=O)Cc1sc(C)nc1C)c1ncnn1C
InChIInChI=1S/C13H19N5OS/c1-5-10(13-14-7-15-18(13)4)17-12(19)6-11-8(2)16-9(3)20-11/h7,10H,5-6H2,1-4H3,(H,17,19)
InChIKeyXWQGMCOUKPMTNW-UHFFFAOYSA-N
XLogP1.70
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,4-dimethylphenoxy)-N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]acetamide
CID 122564046
N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 124750445
2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]acetamide
CID 125436681
N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide
CID 122557720
2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]acetamide
CID 122558009
N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 122559825
N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]thiophene-3-carboxamide
CID 125446952
N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]-4-morpholin-4-ylbutanamide
CID 125439899
N-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-2-thiophen-3-ylacetamide
CID 125447617
2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]acetamide
CID 124754968
2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-pyrimidin-2-ylacetamide
CID 110678645
2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2,2,5,5-tetramethyl-4-oxohexan-3-yl)acetamide
CID 58938982

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]acetamide?
The IUPAC name of 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]acetamide (CID 122566164) is 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]acetamide.
What is the SMILES notation for 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]acetamide?
The canonical SMILES for 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]acetamide is CCC(NC(=O)Cc1sc(C)nc1C)c1ncnn1C.
What is the InChIKey of 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]acetamide?
The InChIKey is XWQGMCOUKPMTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5OS/c1-5-10(13-14-7-15-18(13)4)17-12(19)6-11-8(2)16-9(3)20-11/h7,10H,5-6H2,1-4H3,(H,17,19).
What are the key properties of 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]acetamide?
2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]acetamide has a molecular weight of 293.40 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[1-(2-methyl-1,2,4-triazol-3-yl)propyl]acetamide is sourced from PubChem (CID 122566164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).