2,2-dimethyl-1-(1,3-thiazol-2-yl)propan-1-ol

C8H13NOS — CID 21060249

IUPAC2,2-dimethyl-1-(1,3-thiazol-2-yl)propan-1-ol
SMILESCC(C)(C)C(O)c1nccs1
InChIInChI=1S/C8H13NOS/c1-8(2,3)6(10)7-9-4-5-11-7/h4-6,10H,1-3H3
InChIKeyGOALSZKQXLHXKS-UHFFFAOYSA-N
MW171.26 g/mol
LogP2.22
Rot. Bonds1

About 2,2-dimethyl-1-(1,3-thiazol-2-yl)propan-1-ol

2,2-dimethyl-1-(1,3-thiazol-2-yl)propan-1-ol (PubChem CID 21060249) has the molecular formula C8H13NOS and a molecular weight of 171.26 g/mol. Its IUPAC name is 2,2-dimethyl-1-(1,3-thiazol-2-yl)propan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-1-(1,3-thiazol-2-yl)propan-1-ol
PubChem CID21060249
Molecular FormulaC8H13NOS
Molecular Weight171.26 g/mol
Exact Mass171.07
IUPAC Name2,2-dimethyl-1-(1,3-thiazol-2-yl)propan-1-ol
SMILESCC(C)(C)C(O)c1nccs1
InChIInChI=1S/C8H13NOS/c1-8(2,3)6(10)7-9-4-5-11-7/h4-6,10H,1-3H3
InChIKeyGOALSZKQXLHXKS-UHFFFAOYSA-N
XLogP2.22
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(1,3-thiazol-2-yl)propan-1-ol?
The IUPAC name of 2,2-dimethyl-1-(1,3-thiazol-2-yl)propan-1-ol (CID 21060249) is 2,2-dimethyl-1-(1,3-thiazol-2-yl)propan-1-ol.
What is the SMILES notation for 2,2-dimethyl-1-(1,3-thiazol-2-yl)propan-1-ol?
The canonical SMILES for 2,2-dimethyl-1-(1,3-thiazol-2-yl)propan-1-ol is CC(C)(C)C(O)c1nccs1.
What is the InChIKey of 2,2-dimethyl-1-(1,3-thiazol-2-yl)propan-1-ol?
The InChIKey is GOALSZKQXLHXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NOS/c1-8(2,3)6(10)7-9-4-5-11-7/h4-6,10H,1-3H3.
What are the key properties of 2,2-dimethyl-1-(1,3-thiazol-2-yl)propan-1-ol?
2,2-dimethyl-1-(1,3-thiazol-2-yl)propan-1-ol has a molecular weight of 171.26 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(1,3-thiazol-2-yl)propan-1-ol is sourced from PubChem (CID 21060249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).