1,3-thiazol-5-ylmethanol

C4H5NOS — CID 2763216

IUPAC1,3-thiazol-5-ylmethanol
SMILESOCc1cncs1
InChIInChI=1S/C4H5NOS/c6-2-4-1-5-3-7-4/h1,3,6H,2H2
InChIKeyWKBQQWDVVHGWDB-UHFFFAOYSA-N
MW115.16 g/mol
LogP0.64
Rot. Bonds1

About 1,3-thiazol-5-ylmethanol

1,3-thiazol-5-ylmethanol (PubChem CID 2763216) has the molecular formula C4H5NOS and a molecular weight of 115.16 g/mol. Its IUPAC name is 1,3-thiazol-5-ylmethanol.

Molecular Properties

Compound Name1,3-thiazol-5-ylmethanol
PubChem CID2763216
Molecular FormulaC4H5NOS
Molecular Weight115.16 g/mol
Exact Mass115.01
IUPAC Name1,3-thiazol-5-ylmethanol
SMILESOCc1cncs1
InChIInChI=1S/C4H5NOS/c6-2-4-1-5-3-7-4/h1,3,6H,2H2
InChIKeyWKBQQWDVVHGWDB-UHFFFAOYSA-N
XLogP0.64
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.16
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-Aminothiazol-5-yl)methanol
CID 11217273
(2-(Methoxymethyl)-1,3-thiazol-5-yl)methanol
CID 64980908
(2-Bromo-1,3-thiazol-5-yl)methanol
CID 7213124
(2-Isopropylthiazol-5-yl)methanol
CID 10820831
(2-Methyl-1,3-thiazol-5-yl)methanol
CID 12808792
(2-(Trifluoromethyl)-1,3-thiazol-5-yl)methanol
CID 15171127
(5-Methyl-1,3-thiazol-2-yl)methanol
CID 18406887
(2-Ethyl-1,3-thiazol-5-yl)methanol
CID 21408258
(1R)-1-(1,3-thiazol-5-yl)ethan-1-ol
CID 54594041
[2-(Difluoromethyl)-1,3-thiazol-5-yl]methanol
CID 165945081
5-(Hydroxymethyl)thiazole-2-carbaldehyde
CID 126719503
[2-(1,1-Difluoroethyl)-1,3-thiazol-5-yl]methanol
CID 155943682

Frequently Asked Questions

What is the IUPAC name of 1,3-thiazol-5-ylmethanol?
The IUPAC name of 1,3-thiazol-5-ylmethanol (CID 2763216) is 1,3-thiazol-5-ylmethanol.
What is the SMILES notation for 1,3-thiazol-5-ylmethanol?
The canonical SMILES for 1,3-thiazol-5-ylmethanol is OCc1cncs1.
What is the InChIKey of 1,3-thiazol-5-ylmethanol?
The InChIKey is WKBQQWDVVHGWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NOS/c6-2-4-1-5-3-7-4/h1,3,6H,2H2.
What are the key properties of 1,3-thiazol-5-ylmethanol?
1,3-thiazol-5-ylmethanol has a molecular weight of 115.16 g/mol, XLogP of 0.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-thiazol-5-ylmethanol is sourced from PubChem (CID 2763216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).