(2R)-1-[(5-ethyl-1H-imidazol-2-yl)sulfanyl]propan-2-ol

C8H14N2OS — CID 100726062

IUPAC(2R)-1-[(5-ethyl-1H-imidazol-2-yl)sulfanyl]propan-2-ol
SMILESCCc1cnc(SC[C@@H](C)O)[nH]1
InChIInChI=1S/C8H14N2OS/c1-3-7-4-9-8(10-7)12-5-6(2)11/h4,6,11H,3,5H2,1-2H3,(H,9,10)/t6-/m1/s1
InChIKeyBXSGDAVSJXLNAN-ZCFIWIBFSA-N
MW186.28 g/mol
LogP1.45
Rot. Bonds4

About (2R)-1-[(5-ethyl-1H-imidazol-2-yl)sulfanyl]propan-2-ol

(2R)-1-[(5-ethyl-1H-imidazol-2-yl)sulfanyl]propan-2-ol (PubChem CID 100726062) has the molecular formula C8H14N2OS and a molecular weight of 186.28 g/mol. Its IUPAC name is (2R)-1-[(5-ethyl-1H-imidazol-2-yl)sulfanyl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(5-ethyl-1H-imidazol-2-yl)sulfanyl]propan-2-ol
PubChem CID100726062
Molecular FormulaC8H14N2OS
Molecular Weight186.28 g/mol
Exact Mass186.08
IUPAC Name(2R)-1-[(5-ethyl-1H-imidazol-2-yl)sulfanyl]propan-2-ol
SMILESCCc1cnc(SC[C@@H](C)O)[nH]1
InChIInChI=1S/C8H14N2OS/c1-3-7-4-9-8(10-7)12-5-6(2)11/h4,6,11H,3,5H2,1-2H3,(H,9,10)/t6-/m1/s1
InChIKeyBXSGDAVSJXLNAN-ZCFIWIBFSA-N
XLogP1.45
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

propan-2-yl 3-[(5-ethyl-1H-imidazol-2-yl)sulfanyl]propanoate
CID 166402293
5-ethyl-2-prop-2-ynylsulfanyl-1H-imidazole
CID 130695722
(2S)-1-(1H-1,2,4-triazol-5-ylsulfanyl)propan-2-ol
CID 106933255
5-ethyl-2-(2-methylpropyl)-1H-imidazole
CID 70669339
5-ethyl-2-propan-2-yl-1H-imidazole;molecular hydrogen
CID 169266743
ethyl (2S)-2-[(5-ethyl-1H-imidazol-2-yl)sulfanyl]butanoate
CID 100634550
ethyl (2R)-2-[(5-ethyl-1H-imidazol-2-yl)sulfanyl]butanoate
CID 100634561
(5-ethyl-1H-imidazol-2-yl)methanamine
CID 82235615
5-[(5-ethyl-1H-imidazol-2-yl)sulfanyl]-3-(2-methylpropyl)-1,2,4-thiadiazole
CID 133492668
3-(5-ethyl-1H-imidazol-2-yl)-2-methylpropanoic acid
CID 116878868
5-(chloromethyl)-2-propylsulfanyl-1H-imidazole
CID 86748913
(2S)-3-[2-[2-carboxy-2-(chloroamino)ethyl]sulfanyl-1H-imidazol-5-yl]-2-(chloroamino)propanoic acid
CID 160639323

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(5-ethyl-1H-imidazol-2-yl)sulfanyl]propan-2-ol?
The IUPAC name of (2R)-1-[(5-ethyl-1H-imidazol-2-yl)sulfanyl]propan-2-ol (CID 100726062) is (2R)-1-[(5-ethyl-1H-imidazol-2-yl)sulfanyl]propan-2-ol.
What is the SMILES notation for (2R)-1-[(5-ethyl-1H-imidazol-2-yl)sulfanyl]propan-2-ol?
The canonical SMILES for (2R)-1-[(5-ethyl-1H-imidazol-2-yl)sulfanyl]propan-2-ol is CCc1cnc(SC[C@@H](C)O)[nH]1.
What is the InChIKey of (2R)-1-[(5-ethyl-1H-imidazol-2-yl)sulfanyl]propan-2-ol?
The InChIKey is BXSGDAVSJXLNAN-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H14N2OS/c1-3-7-4-9-8(10-7)12-5-6(2)11/h4,6,11H,3,5H2,1-2H3,(H,9,10)/t6-/m1/s1.
What are the key properties of (2R)-1-[(5-ethyl-1H-imidazol-2-yl)sulfanyl]propan-2-ol?
(2R)-1-[(5-ethyl-1H-imidazol-2-yl)sulfanyl]propan-2-ol has a molecular weight of 186.28 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(5-ethyl-1H-imidazol-2-yl)sulfanyl]propan-2-ol is sourced from PubChem (CID 100726062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).