1-(1-methylimidazol-2-yl)sulfanyl-3-(thiophen-2-ylmethoxy)propan-2-ol

C12H16N2O2S2 — CID 110879206

IUPAC1-(1-methylimidazol-2-yl)sulfanyl-3-(thiophen-2-ylmethoxy)propan-2-ol
SMILESCn1ccnc1SCC(O)COCc1cccs1
InChIInChI=1S/C12H16N2O2S2/c1-14-5-4-13-12(14)18-9-10(15)7-16-8-11-3-2-6-17-11/h2-6,10,15H,7-9H2,1H3
InChIKeyJHRGRANPWJDAML-UHFFFAOYSA-N
MW284.41 g/mol
LogP2.15
Rot. Bonds7

About 1-(1-methylimidazol-2-yl)sulfanyl-3-(thiophen-2-ylmethoxy)propan-2-ol

1-(1-methylimidazol-2-yl)sulfanyl-3-(thiophen-2-ylmethoxy)propan-2-ol (PubChem CID 110879206) has the molecular formula C12H16N2O2S2 and a molecular weight of 284.41 g/mol. Its IUPAC name is 1-(1-methylimidazol-2-yl)sulfanyl-3-(thiophen-2-ylmethoxy)propan-2-ol.

Molecular Properties

Compound Name1-(1-methylimidazol-2-yl)sulfanyl-3-(thiophen-2-ylmethoxy)propan-2-ol
PubChem CID110879206
Molecular FormulaC12H16N2O2S2
Molecular Weight284.41 g/mol
Exact Mass284.07
IUPAC Name1-(1-methylimidazol-2-yl)sulfanyl-3-(thiophen-2-ylmethoxy)propan-2-ol
SMILESCn1ccnc1SCC(O)COCc1cccs1
InChIInChI=1S/C12H16N2O2S2/c1-14-5-4-13-12(14)18-9-10(15)7-16-8-11-3-2-6-17-11/h2-6,10,15H,7-9H2,1H3
InChIKeyJHRGRANPWJDAML-UHFFFAOYSA-N
XLogP2.15
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-1-(thiophen-2-ylmethoxy)-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propan-2-ol
CID 94813173
(2S)-1-(2-hydroxyethoxy)-3-(1-methylimidazol-2-yl)sulfanylpropan-2-ol
CID 40613083
1-(2-iodoimidazol-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 86815395
1-(2-propan-2-ylimidazol-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 109411242
4-[(2S)-2-hydroxy-3-(1-methylimidazol-2-yl)sulfanylpropoxy]benzonitrile
CID 94184578
N-[4-[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]sulfanylphenyl]acetamide
CID 78661847
3-(2,4-dimethylphenyl)-2-[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]sulfanylquinazolin-4-one
CID 112796175
1-(3-phenylpyrazol-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 75432701
1-(1-methylimidazol-2-yl)sulfanylpropan-2-amine
CID 64621367
1-[(3-ethyl-1-methylpyrazol-4-yl)amino]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 107462870
1-[4-(2-hydroxypropyl)piperazin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 56802833
(2S)-1-(4-pyrrol-1-ylpyrazol-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 97243262

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylimidazol-2-yl)sulfanyl-3-(thiophen-2-ylmethoxy)propan-2-ol?
The IUPAC name of 1-(1-methylimidazol-2-yl)sulfanyl-3-(thiophen-2-ylmethoxy)propan-2-ol (CID 110879206) is 1-(1-methylimidazol-2-yl)sulfanyl-3-(thiophen-2-ylmethoxy)propan-2-ol.
What is the SMILES notation for 1-(1-methylimidazol-2-yl)sulfanyl-3-(thiophen-2-ylmethoxy)propan-2-ol?
The canonical SMILES for 1-(1-methylimidazol-2-yl)sulfanyl-3-(thiophen-2-ylmethoxy)propan-2-ol is Cn1ccnc1SCC(O)COCc1cccs1.
What is the InChIKey of 1-(1-methylimidazol-2-yl)sulfanyl-3-(thiophen-2-ylmethoxy)propan-2-ol?
The InChIKey is JHRGRANPWJDAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S2/c1-14-5-4-13-12(14)18-9-10(15)7-16-8-11-3-2-6-17-11/h2-6,10,15H,7-9H2,1H3.
What are the key properties of 1-(1-methylimidazol-2-yl)sulfanyl-3-(thiophen-2-ylmethoxy)propan-2-ol?
1-(1-methylimidazol-2-yl)sulfanyl-3-(thiophen-2-ylmethoxy)propan-2-ol has a molecular weight of 284.41 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylimidazol-2-yl)sulfanyl-3-(thiophen-2-ylmethoxy)propan-2-ol is sourced from PubChem (CID 110879206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).