[2-(2-methylpropyl)-1,3-thiazol-5-yl]methanol

C8H13NOS — CID 21085977

IUPAC[2-(2-methylpropyl)-1,3-thiazol-5-yl]methanol
SMILESCC(C)Cc1ncc(CO)s1
InChIInChI=1S/C8H13NOS/c1-6(2)3-8-9-4-7(5-10)11-8/h4,6,10H,3,5H2,1-2H3
InChIKeyWFDMPHVGYRVFMV-UHFFFAOYSA-N
MW171.26 g/mol
LogP1.83
Rot. Bonds3

About [2-(2-methylpropyl)-1,3-thiazol-5-yl]methanol

[2-(2-methylpropyl)-1,3-thiazol-5-yl]methanol (PubChem CID 21085977) has the molecular formula C8H13NOS and a molecular weight of 171.26 g/mol. Its IUPAC name is [2-(2-methylpropyl)-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-(2-methylpropyl)-1,3-thiazol-5-yl]methanol
PubChem CID21085977
Molecular FormulaC8H13NOS
Molecular Weight171.26 g/mol
Exact Mass171.07
IUPAC Name[2-(2-methylpropyl)-1,3-thiazol-5-yl]methanol
SMILESCC(C)Cc1ncc(CO)s1
InChIInChI=1S/C8H13NOS/c1-6(2)3-8-9-4-7(5-10)11-8/h4,6,10H,3,5H2,1-2H3
InChIKeyWFDMPHVGYRVFMV-UHFFFAOYSA-N
XLogP1.83
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Thiazolylmethanol
CID 2763216
(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
(2-Ethyl-1,3-thiazol-5-yl)methanol
CID 21408258
[5-(Propan-2-yl)-1,3-thiazol-2-yl]methanol
CID 45096028
[2-(Difluoromethyl)-1,3-thiazol-5-yl]methanol
CID 165945081
2-Isobutyl-5-methylthiazole
CID 574811
[2-(1,1-Difluoroethyl)-1,3-thiazol-5-yl]methanol
CID 155943682
[2-(Aminomethyl)-1,3-thiazol-5-yl]methanol dihydrochloride
CID 178200033

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylpropyl)-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-(2-methylpropyl)-1,3-thiazol-5-yl]methanol (CID 21085977) is [2-(2-methylpropyl)-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-(2-methylpropyl)-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-(2-methylpropyl)-1,3-thiazol-5-yl]methanol is CC(C)Cc1ncc(CO)s1.
What is the InChIKey of [2-(2-methylpropyl)-1,3-thiazol-5-yl]methanol?
The InChIKey is WFDMPHVGYRVFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NOS/c1-6(2)3-8-9-4-7(5-10)11-8/h4,6,10H,3,5H2,1-2H3.
What are the key properties of [2-(2-methylpropyl)-1,3-thiazol-5-yl]methanol?
[2-(2-methylpropyl)-1,3-thiazol-5-yl]methanol has a molecular weight of 171.26 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylpropyl)-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 21085977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).