(2S)-2-methyl-3-(2-methyl-1,3-thiazol-5-yl)propan-1-ol

C8H13NOS — CID 59949415

IUPAC(2S)-2-methyl-3-(2-methyl-1,3-thiazol-5-yl)propan-1-ol
SMILESCc1ncc(C[C@H](C)CO)s1
InChIInChI=1S/C8H13NOS/c1-6(5-10)3-8-4-9-7(2)11-8/h4,6,10H,3,5H2,1-2H3/t6-/m0/s1
InChIKeyWYNRMKBICJTMBQ-LURJTMIESA-N
MW171.26 g/mol
LogP1.62
Rot. Bonds3

About (2S)-2-methyl-3-(2-methyl-1,3-thiazol-5-yl)propan-1-ol

(2S)-2-methyl-3-(2-methyl-1,3-thiazol-5-yl)propan-1-ol (PubChem CID 59949415) has the molecular formula C8H13NOS and a molecular weight of 171.26 g/mol. Its IUPAC name is (2S)-2-methyl-3-(2-methyl-1,3-thiazol-5-yl)propan-1-ol.

Molecular Properties

Compound Name(2S)-2-methyl-3-(2-methyl-1,3-thiazol-5-yl)propan-1-ol
PubChem CID59949415
Molecular FormulaC8H13NOS
Molecular Weight171.26 g/mol
Exact Mass171.07
IUPAC Name(2S)-2-methyl-3-(2-methyl-1,3-thiazol-5-yl)propan-1-ol
SMILESCc1ncc(C[C@H](C)CO)s1
InChIInChI=1S/C8H13NOS/c1-6(5-10)3-8-4-9-7(2)11-8/h4,6,10H,3,5H2,1-2H3/t6-/m0/s1
InChIKeyWYNRMKBICJTMBQ-LURJTMIESA-N
XLogP1.62
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 ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-3-(2-methyl-1,3-thiazol-5-yl)propan-1-ol?
The IUPAC name of (2S)-2-methyl-3-(2-methyl-1,3-thiazol-5-yl)propan-1-ol (CID 59949415) is (2S)-2-methyl-3-(2-methyl-1,3-thiazol-5-yl)propan-1-ol.
What is the SMILES notation for (2S)-2-methyl-3-(2-methyl-1,3-thiazol-5-yl)propan-1-ol?
The canonical SMILES for (2S)-2-methyl-3-(2-methyl-1,3-thiazol-5-yl)propan-1-ol is Cc1ncc(C[C@H](C)CO)s1.
What is the InChIKey of (2S)-2-methyl-3-(2-methyl-1,3-thiazol-5-yl)propan-1-ol?
The InChIKey is WYNRMKBICJTMBQ-LURJTMIESA-N. The full InChI is InChI=1S/C8H13NOS/c1-6(5-10)3-8-4-9-7(2)11-8/h4,6,10H,3,5H2,1-2H3/t6-/m0/s1.
What are the key properties of (2S)-2-methyl-3-(2-methyl-1,3-thiazol-5-yl)propan-1-ol?
(2S)-2-methyl-3-(2-methyl-1,3-thiazol-5-yl)propan-1-ol has a molecular weight of 171.26 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-3-(2-methyl-1,3-thiazol-5-yl)propan-1-ol is sourced from PubChem (CID 59949415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).