N-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-2-thiophen-3-ylacetamide

C14H20N4OS — CID 125447617

IUPACN-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-2-thiophen-3-ylacetamide
SMILESCC(C)C[C@H](NC(=O)Cc1ccsc1)c1ncnn1C
InChIInChI=1S/C14H20N4OS/c1-10(2)6-12(14-15-9-16-18(14)3)17-13(19)7-11-4-5-20-8-11/h4-5,8-10,12H,6-7H2,1-3H3,(H,17,19)/t12-/m0/s1
InChIKeyITEGBZVXVUFPCI-LBPRGKRZSA-N
MW292.41 g/mol
LogP2.32
Rot. Bonds6

About N-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-2-thiophen-3-ylacetamide

N-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-2-thiophen-3-ylacetamide (PubChem CID 125447617) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is N-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-2-thiophen-3-ylacetamide
PubChem CID125447617
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC NameN-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-2-thiophen-3-ylacetamide
SMILESCC(C)C[C@H](NC(=O)Cc1ccsc1)c1ncnn1C
InChIInChI=1S/C14H20N4OS/c1-10(2)6-12(14-15-9-16-18(14)3)17-13(19)7-11-4-5-20-8-11/h4-5,8-10,12H,6-7H2,1-3H3,(H,17,19)/t12-/m0/s1
InChIKeyITEGBZVXVUFPCI-LBPRGKRZSA-N
XLogP2.32
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N'-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-N-(2-methylphenyl)propanediamide
CID 50972141
N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]thiophene-3-carboxamide
CID 125446952
2-amino-N-[(1R)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1,3-thiazole-4-carboxamide
CID 125443478
2-amino-N-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1,3-thiazole-4-carboxamide
CID 125443480
2-indol-1-yl-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]acetamide
CID 91830303
N-[1-(2-methyl-1,2,4-triazol-3-yl)ethyl]-2-(4-phenylphenyl)acetamide
CID 91781933
2-amino-N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-1,3-thiazole-5-carboxamide
CID 122560144
N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]thiophene-3-carboxamide
CID 129478206
1-methyl-N-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-3-propan-2-ylpyrazole-5-carboxamide
CID 95122495
N-[3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 70728800
N-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 97122335
4-fluoro-3-methyl-N-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]benzamide
CID 95226291

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-2-thiophen-3-ylacetamide?
The IUPAC name of N-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-2-thiophen-3-ylacetamide (CID 125447617) is N-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-2-thiophen-3-ylacetamide?
The canonical SMILES for N-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-2-thiophen-3-ylacetamide is CC(C)C[C@H](NC(=O)Cc1ccsc1)c1ncnn1C.
What is the InChIKey of N-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-2-thiophen-3-ylacetamide?
The InChIKey is ITEGBZVXVUFPCI-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-10(2)6-12(14-15-9-16-18(14)3)17-13(19)7-11-4-5-20-8-11/h4-5,8-10,12H,6-7H2,1-3H3,(H,17,19)/t12-/m0/s1.
What are the key properties of N-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-2-thiophen-3-ylacetamide?
N-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-2-thiophen-3-ylacetamide has a molecular weight of 292.41 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-3-methyl-1-(2-methyl-1,2,4-triazol-3-yl)butyl]-2-thiophen-3-ylacetamide is sourced from PubChem (CID 125447617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).