2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylacetamide

C13H15N3OS — CID 7870886

IUPAC2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylacetamide
SMILESCc1ccc(-n2ccnc2SCC(N)=O)c(C)c1
InChIInChI=1S/C13H15N3OS/c1-9-3-4-11(10(2)7-9)16-6-5-15-13(16)18-8-12(14)17/h3-7H,8H2,1-2H3,(H2,14,17)
InChIKeyYGMRHBISPUGOGB-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.07
Rot. Bonds4

About 2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylacetamide

2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylacetamide (PubChem CID 7870886) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is 2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylacetamide.

Molecular Properties

Compound Name2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylacetamide
PubChem CID7870886
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylacetamide
SMILESCc1ccc(-n2ccnc2SCC(N)=O)c(C)c1
InChIInChI=1S/C13H15N3OS/c1-9-3-4-11(10(2)7-9)16-6-5-15-13(16)18-8-12(14)17/h3-7H,8H2,1-2H3,(H2,14,17)
InChIKeyYGMRHBISPUGOGB-UHFFFAOYSA-N
XLogP2.07
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-methylphenyl)-2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylacetamide
CID 7870894
2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(1-methoxypropan-2-yl)acetamide
CID 18131158
2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 7870852
(2R)-N-carbamoyl-2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 7870866
2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[1-(4-ethylphenyl)ethyl]acetamide
CID 18287729
N-[2-[4-[2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]phenyl]ethyl]acetamide
CID 33290464
N'-[2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-2-fluorobenzohydrazide
CID 24577697
2-[[2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-ethylamino]-N-propan-2-ylacetamide
CID 18131175
2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[4-(4-ethylpiperazin-1-yl)phenyl]acetamide
CID 24580289
1-(4-methylphenyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylethanone
CID 33299321
3-[[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]amino]-2,2-dimethylpropanamide
CID 60557721
2-[[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]amino]benzamide
CID 78797290

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylacetamide?
The IUPAC name of 2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylacetamide (CID 7870886) is 2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylacetamide.
What is the SMILES notation for 2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylacetamide?
The canonical SMILES for 2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylacetamide is Cc1ccc(-n2ccnc2SCC(N)=O)c(C)c1.
What is the InChIKey of 2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylacetamide?
The InChIKey is YGMRHBISPUGOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-9-3-4-11(10(2)7-9)16-6-5-15-13(16)18-8-12(14)17/h3-7H,8H2,1-2H3,(H2,14,17).
What are the key properties of 2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylacetamide?
2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylacetamide has a molecular weight of 261.35 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 7870886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).