ethane;(4-methyl-1,3-thiazol-2-yl)methanol

C7H13NOS — CID 144707130

IUPACethane;(4-methyl-1,3-thiazol-2-yl)methanol
SMILESCC.Cc1csc(CO)n1
InChIInChI=1S/C5H7NOS.C2H6/c1-4-3-8-5(2-7)6-4;1-2/h3,7H,2H2,1H3;1-2H3
InChIKeyWEDCEULPBOKRCO-UHFFFAOYSA-N
MW159.25 g/mol
LogP1.97
Rot. Bonds1

About ethane;(4-methyl-1,3-thiazol-2-yl)methanol

ethane;(4-methyl-1,3-thiazol-2-yl)methanol (PubChem CID 144707130) has the molecular formula C7H13NOS and a molecular weight of 159.25 g/mol. Its IUPAC name is ethane;(4-methyl-1,3-thiazol-2-yl)methanol.

Molecular Properties

Compound Nameethane;(4-methyl-1,3-thiazol-2-yl)methanol
PubChem CID144707130
Molecular FormulaC7H13NOS
Molecular Weight159.25 g/mol
Exact Mass159.07
IUPAC Nameethane;(4-methyl-1,3-thiazol-2-yl)methanol
SMILESCC.Cc1csc(CO)n1
InChIInChI=1S/C5H7NOS.C2H6/c1-4-3-8-5(2-7)6-4;1-2/h3,7H,2H2,1H3;1-2H3
InChIKeyWEDCEULPBOKRCO-UHFFFAOYSA-N
XLogP1.97
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethane;(4-methyl-1,3-thiazol-2-yl)methanol?
The IUPAC name of ethane;(4-methyl-1,3-thiazol-2-yl)methanol (CID 144707130) is ethane;(4-methyl-1,3-thiazol-2-yl)methanol.
What is the SMILES notation for ethane;(4-methyl-1,3-thiazol-2-yl)methanol?
The canonical SMILES for ethane;(4-methyl-1,3-thiazol-2-yl)methanol is CC.Cc1csc(CO)n1.
What is the InChIKey of ethane;(4-methyl-1,3-thiazol-2-yl)methanol?
The InChIKey is WEDCEULPBOKRCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NOS.C2H6/c1-4-3-8-5(2-7)6-4;1-2/h3,7H,2H2,1H3;1-2H3.
What are the key properties of ethane;(4-methyl-1,3-thiazol-2-yl)methanol?
ethane;(4-methyl-1,3-thiazol-2-yl)methanol has a molecular weight of 159.25 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(4-methyl-1,3-thiazol-2-yl)methanol is sourced from PubChem (CID 144707130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).