2-cyclopropyl-5-ethylsulfanyl-1-methylimidazole-4-carboxylic acid

C10H14N2O2S — CID 135229181

IUPAC2-cyclopropyl-5-ethylsulfanyl-1-methylimidazole-4-carboxylic acid
SMILESCCSc1c(C(=O)O)nc(C2CC2)n1C
InChIInChI=1S/C10H14N2O2S/c1-3-15-9-7(10(13)14)11-8(12(9)2)6-4-5-6/h6H,3-5H2,1-2H3,(H,13,14)
InChIKeyXTKXTEFZHCIQHX-UHFFFAOYSA-N
MW226.30 g/mol
LogP2.11
Rot. Bonds4

About 2-cyclopropyl-5-ethylsulfanyl-1-methylimidazole-4-carboxylic acid

2-cyclopropyl-5-ethylsulfanyl-1-methylimidazole-4-carboxylic acid (PubChem CID 135229181) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is 2-cyclopropyl-5-ethylsulfanyl-1-methylimidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-cyclopropyl-5-ethylsulfanyl-1-methylimidazole-4-carboxylic acid
PubChem CID135229181
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Name2-cyclopropyl-5-ethylsulfanyl-1-methylimidazole-4-carboxylic acid
SMILESCCSc1c(C(=O)O)nc(C2CC2)n1C
InChIInChI=1S/C10H14N2O2S/c1-3-15-9-7(10(13)14)11-8(12(9)2)6-4-5-6/h6H,3-5H2,1-2H3,(H,13,14)
InChIKeyXTKXTEFZHCIQHX-UHFFFAOYSA-N
XLogP2.11
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 67824282
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CID 83837678
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CID 117249036
3-cyclopropyl-1-ethyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylic acid
CID 138635844
8-methyl-3-(1-methylpiperidin-4-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117249726
5-cyclopropyl-1-ethyltriazole-4-carboxylic acid
CID 62055602
2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(1-ethylsulfonyl-2,3-dihydroindol-5-yl)ethanone
CID 7680243
2-(2-cyclopropyl-1-methylbenzimidazol-5-yl)propanoic acid
CID 82497559
2-[(5-cyclopropyl-4-octyl-1,2,4-triazol-3-yl)sulfanyl]acetic acid
CID 115569085
2-[[5-cyclopropyl-4-(4-methylpiperazin-1-yl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 83017943
3-ethylsulfanyl-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole;oxalic acid
CID 19075505
3-(1-ethylpiperidin-4-yl)-5-methylimidazo[1,5-a]pyridine-1-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-ethylsulfanyl-1-methylimidazole-4-carboxylic acid?
The IUPAC name of 2-cyclopropyl-5-ethylsulfanyl-1-methylimidazole-4-carboxylic acid (CID 135229181) is 2-cyclopropyl-5-ethylsulfanyl-1-methylimidazole-4-carboxylic acid.
What is the SMILES notation for 2-cyclopropyl-5-ethylsulfanyl-1-methylimidazole-4-carboxylic acid?
The canonical SMILES for 2-cyclopropyl-5-ethylsulfanyl-1-methylimidazole-4-carboxylic acid is CCSc1c(C(=O)O)nc(C2CC2)n1C.
What is the InChIKey of 2-cyclopropyl-5-ethylsulfanyl-1-methylimidazole-4-carboxylic acid?
The InChIKey is XTKXTEFZHCIQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-3-15-9-7(10(13)14)11-8(12(9)2)6-4-5-6/h6H,3-5H2,1-2H3,(H,13,14).
What are the key properties of 2-cyclopropyl-5-ethylsulfanyl-1-methylimidazole-4-carboxylic acid?
2-cyclopropyl-5-ethylsulfanyl-1-methylimidazole-4-carboxylic acid has a molecular weight of 226.30 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-ethylsulfanyl-1-methylimidazole-4-carboxylic acid is sourced from PubChem (CID 135229181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).