(1-ethylimidazol-2-yl)-(thian-2-yl)methanol

C11H18N2OS — CID 80622339

IUPAC(1-ethylimidazol-2-yl)-(thian-2-yl)methanol
SMILESCCn1ccnc1C(O)C1CCCCS1
InChIInChI=1S/C11H18N2OS/c1-2-13-7-6-12-11(13)10(14)9-5-3-4-8-15-9/h6-7,9-10,14H,2-5,8H2,1H3
InChIKeyWCSOAYWKYJUDTG-UHFFFAOYSA-N
MW226.34 g/mol
LogP2.22
Rot. Bonds3

About (1-ethylimidazol-2-yl)-(thian-2-yl)methanol

(1-ethylimidazol-2-yl)-(thian-2-yl)methanol (PubChem CID 80622339) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is (1-ethylimidazol-2-yl)-(thian-2-yl)methanol.

Molecular Properties

Compound Name(1-ethylimidazol-2-yl)-(thian-2-yl)methanol
PubChem CID80622339
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name(1-ethylimidazol-2-yl)-(thian-2-yl)methanol
SMILESCCn1ccnc1C(O)C1CCCCS1
InChIInChI=1S/C11H18N2OS/c1-2-13-7-6-12-11(13)10(14)9-5-3-4-8-15-9/h6-7,9-10,14H,2-5,8H2,1H3
InChIKeyWCSOAYWKYJUDTG-UHFFFAOYSA-N
XLogP2.22
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-methylimidazol-2-yl)-(thian-2-yl)methanol
CID 80622450
7-bicyclo[4.1.0]heptanyl-(1-ethylimidazol-2-yl)methanol
CID 115800045
1-cyclopropyl-2-(1-ethylimidazol-2-yl)ethane-1,2-diol
CID 103456993
(1-ethylimidazol-2-yl)-(4-methylthiomorpholin-3-yl)methanol
CID 103595608
1,4-diazabicyclo[2.2.2]octan-2-yl-(1-ethylimidazol-2-yl)methanol
CID 79969029
2-cycloheptyl-1-(1-ethylimidazol-2-yl)-N-methylethanamine
CID 115860135
1-(5,6-dimethyl-1,4-dithian-2-yl)-2-(1-ethylimidazol-2-yl)ethanol
CID 103345287
2-(azepan-1-yl)-1-(1-ethylimidazol-2-yl)-2-methylpropan-1-ol
CID 79051803
1-(1-ethylimidazol-2-yl)ethanamine
CID 63970415
2-cyclopentylsulfanyl-1-(1-ethylimidazol-2-yl)ethanamine
CID 65138714
(3-ethyl-1,4-dithian-2-yl)-(1-ethylimidazol-2-yl)methanamine
CID 113299667
(1-ethylimidazol-2-yl)-(1-methoxycyclohexyl)methanol
CID 116753476

Frequently Asked Questions

What is the IUPAC name of (1-ethylimidazol-2-yl)-(thian-2-yl)methanol?
The IUPAC name of (1-ethylimidazol-2-yl)-(thian-2-yl)methanol (CID 80622339) is (1-ethylimidazol-2-yl)-(thian-2-yl)methanol.
What is the SMILES notation for (1-ethylimidazol-2-yl)-(thian-2-yl)methanol?
The canonical SMILES for (1-ethylimidazol-2-yl)-(thian-2-yl)methanol is CCn1ccnc1C(O)C1CCCCS1.
What is the InChIKey of (1-ethylimidazol-2-yl)-(thian-2-yl)methanol?
The InChIKey is WCSOAYWKYJUDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-2-13-7-6-12-11(13)10(14)9-5-3-4-8-15-9/h6-7,9-10,14H,2-5,8H2,1H3.
What are the key properties of (1-ethylimidazol-2-yl)-(thian-2-yl)methanol?
(1-ethylimidazol-2-yl)-(thian-2-yl)methanol has a molecular weight of 226.34 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylimidazol-2-yl)-(thian-2-yl)methanol is sourced from PubChem (CID 80622339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).