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

C7H11NOS — CID 13032476

IUPAC2-methyl-1-(1,3-thiazol-2-yl)propan-1-ol
SMILESCC(C)C(O)c1nccs1
InChIInChI=1S/C7H11NOS/c1-5(2)6(9)7-8-3-4-10-7/h3-6,9H,1-2H3
InChIKeyRRWNEXWOJPWJAI-UHFFFAOYSA-N
MW157.24 g/mol
LogP1.83
Rot. Bonds2

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

2-methyl-1-(1,3-thiazol-2-yl)propan-1-ol (PubChem CID 13032476) has the molecular formula C7H11NOS and a molecular weight of 157.24 g/mol. Its IUPAC name is 2-methyl-1-(1,3-thiazol-2-yl)propan-1-ol.

Molecular Properties

Compound Name2-methyl-1-(1,3-thiazol-2-yl)propan-1-ol
PubChem CID13032476
Molecular FormulaC7H11NOS
Molecular Weight157.24 g/mol
Exact Mass157.06
IUPAC Name2-methyl-1-(1,3-thiazol-2-yl)propan-1-ol
SMILESCC(C)C(O)c1nccs1
InChIInChI=1S/C7H11NOS/c1-5(2)6(9)7-8-3-4-10-7/h3-6,9H,1-2H3
InChIKeyRRWNEXWOJPWJAI-UHFFFAOYSA-N
XLogP1.83
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 ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 10034657
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CID 9989295
1-(1,3-Thiazol-2-yl)cyclobutan-1-ol
CID 12992810
(1S,2S)-1-Amino-1-(1,3-thiazol-2-YL)propan-2-OL
CID 445279
(1S)-1-(1,3-thiazol-2-yl)ethan-1-ol
CID 10796762
(1R)-1-(1,3-thiazol-2-yl)ethan-1-ol
CID 11423603
2-Thiazol-2-yl-propan-2-ol
CID 12992807
Cyclopropyl(1,3-thiazol-2-yl)methanol
CID 22406973
2,2,2-Trifluoro-1-(1,3-thiazol-2-yl)ethan-1-ol
CID 50990575
2-[4-(1,3-Thiazol-2-ylmethyl)piperidin-1-yl]ethanol
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2-Methoxy-1-(1,3-thiazol-2-yl)ethan-1-ol
CID 46785207

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(1,3-thiazol-2-yl)propan-1-ol?
The IUPAC name of 2-methyl-1-(1,3-thiazol-2-yl)propan-1-ol (CID 13032476) is 2-methyl-1-(1,3-thiazol-2-yl)propan-1-ol.
What is the SMILES notation for 2-methyl-1-(1,3-thiazol-2-yl)propan-1-ol?
The canonical SMILES for 2-methyl-1-(1,3-thiazol-2-yl)propan-1-ol is CC(C)C(O)c1nccs1.
What is the InChIKey of 2-methyl-1-(1,3-thiazol-2-yl)propan-1-ol?
The InChIKey is RRWNEXWOJPWJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NOS/c1-5(2)6(9)7-8-3-4-10-7/h3-6,9H,1-2H3.
What are the key properties of 2-methyl-1-(1,3-thiazol-2-yl)propan-1-ol?
2-methyl-1-(1,3-thiazol-2-yl)propan-1-ol has a molecular weight of 157.24 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(1,3-thiazol-2-yl)propan-1-ol is sourced from PubChem (CID 13032476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).