1-(5-methyl-1,2-thiazol-3-yl)ethanol

C6H9NOS — CID 45085688

IUPAC1-(5-methyl-1,2-thiazol-3-yl)ethanol
SMILESCc1cc(C(C)O)ns1
InChIInChI=1S/C6H9NOS/c1-4-3-6(5(2)8)7-9-4/h3,5,8H,1-2H3
InChIKeyXWKHAAYNELHZCM-UHFFFAOYSA-N
MW143.21 g/mol
LogP1.50
Rot. Bonds1

About 1-(5-methyl-1,2-thiazol-3-yl)ethanol

1-(5-methyl-1,2-thiazol-3-yl)ethanol (PubChem CID 45085688) has the molecular formula C6H9NOS and a molecular weight of 143.21 g/mol. Its IUPAC name is 1-(5-methyl-1,2-thiazol-3-yl)ethanol.

Molecular Properties

Compound Name1-(5-methyl-1,2-thiazol-3-yl)ethanol
PubChem CID45085688
Molecular FormulaC6H9NOS
Molecular Weight143.21 g/mol
Exact Mass143.04
IUPAC Name1-(5-methyl-1,2-thiazol-3-yl)ethanol
SMILESCc1cc(C(C)O)ns1
InChIInChI=1S/C6H9NOS/c1-4-3-6(5(2)8)7-9-4/h3,5,8H,1-2H3
InChIKeyXWKHAAYNELHZCM-UHFFFAOYSA-N
XLogP1.50
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.21
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-Methyl-1,2-thiazol-5-yl)methanol
CID 14343601
(5-Methyl-1,2-thiazol-3-yl)methanol
CID 86767403
(3-(Trifluoromethyl)isothiazol-5-yl)methanol
CID 130670799
[5-(Trifluoromethyl)-1,2-thiazol-3-yl]methanol
CID 130605286
2-Chloro-2,2-difluoro-1-(3-methyl-1,2-thiazol-5-yl)ethanol
CID 130632621
(1R)-2,2,2-trifluoro-1-(3-methyl-1,2-thiazol-5-yl)ethanol
CID 130991631
(3-Propan-2-yl-1,2-thiazol-5-yl)methanol
CID 18759003
1-(Isothiazol-3-yl)ethanol
CID 19017861
[3-(Hydroxymethyl)-1,2-thiazol-5-yl]methanol
CID 57107934
(3-t-Butyl-isothiazol-5-yl)methanol
CID 57736297
(5-Isopropyl-isothiazol-3-yl)-methanol
CID 68731053
3-Ethyl-5-isothiazolemethanol
CID 89816508

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,2-thiazol-3-yl)ethanol?
The IUPAC name of 1-(5-methyl-1,2-thiazol-3-yl)ethanol (CID 45085688) is 1-(5-methyl-1,2-thiazol-3-yl)ethanol.
What is the SMILES notation for 1-(5-methyl-1,2-thiazol-3-yl)ethanol?
The canonical SMILES for 1-(5-methyl-1,2-thiazol-3-yl)ethanol is Cc1cc(C(C)O)ns1.
What is the InChIKey of 1-(5-methyl-1,2-thiazol-3-yl)ethanol?
The InChIKey is XWKHAAYNELHZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NOS/c1-4-3-6(5(2)8)7-9-4/h3,5,8H,1-2H3.
What are the key properties of 1-(5-methyl-1,2-thiazol-3-yl)ethanol?
1-(5-methyl-1,2-thiazol-3-yl)ethanol has a molecular weight of 143.21 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,2-thiazol-3-yl)ethanol is sourced from PubChem (CID 45085688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).