(2-propan-2-yl-1,3-thiazol-5-yl)methanol

C7H11NOS — CID 10820831

IUPAC(2-propan-2-yl-1,3-thiazol-5-yl)methanol
SMILESCC(C)c1ncc(CO)s1
InChIInChI=1S/C7H11NOS/c1-5(2)7-8-3-6(4-9)10-7/h3,5,9H,4H2,1-2H3
InChIKeyFCKAJPDGXQGBMZ-UHFFFAOYSA-N
MW157.24 g/mol
LogP1.76
Rot. Bonds2

About (2-propan-2-yl-1,3-thiazol-5-yl)methanol

(2-propan-2-yl-1,3-thiazol-5-yl)methanol (PubChem CID 10820831) has the molecular formula C7H11NOS and a molecular weight of 157.24 g/mol. Its IUPAC name is (2-propan-2-yl-1,3-thiazol-5-yl)methanol.

Molecular Properties

Compound Name(2-propan-2-yl-1,3-thiazol-5-yl)methanol
PubChem CID10820831
Molecular FormulaC7H11NOS
Molecular Weight157.24 g/mol
Exact Mass157.06
IUPAC Name(2-propan-2-yl-1,3-thiazol-5-yl)methanol
SMILESCC(C)c1ncc(CO)s1
InChIInChI=1S/C7H11NOS/c1-5(2)7-8-3-6(4-9)10-7/h3,5,9H,4H2,1-2H3
InChIKeyFCKAJPDGXQGBMZ-UHFFFAOYSA-N
XLogP1.76
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.24
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Thiazolylmethanol
CID 2763216
alpha,5-Dimethyl-2-thiazolemethanol
CID 46785227
(2-(Methoxymethyl)-1,3-thiazol-5-yl)methanol
CID 64980908
(2-Bromo-1,3-thiazol-5-yl)methanol
CID 7213124
(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
[5-(Propan-2-yl)-1,3-thiazol-2-yl]methanol
CID 45096028
(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

Frequently Asked Questions

What is the IUPAC name of (2-propan-2-yl-1,3-thiazol-5-yl)methanol?
The IUPAC name of (2-propan-2-yl-1,3-thiazol-5-yl)methanol (CID 10820831) is (2-propan-2-yl-1,3-thiazol-5-yl)methanol.
What is the SMILES notation for (2-propan-2-yl-1,3-thiazol-5-yl)methanol?
The canonical SMILES for (2-propan-2-yl-1,3-thiazol-5-yl)methanol is CC(C)c1ncc(CO)s1.
What is the InChIKey of (2-propan-2-yl-1,3-thiazol-5-yl)methanol?
The InChIKey is FCKAJPDGXQGBMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NOS/c1-5(2)7-8-3-6(4-9)10-7/h3,5,9H,4H2,1-2H3.
What are the key properties of (2-propan-2-yl-1,3-thiazol-5-yl)methanol?
(2-propan-2-yl-1,3-thiazol-5-yl)methanol has a molecular weight of 157.24 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-propan-2-yl-1,3-thiazol-5-yl)methanol is sourced from PubChem (CID 10820831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).