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

C8H13NOS — CID 127016573

IUPAC2-methyl-3-(3-methyl-1,2-thiazol-5-yl)propan-1-ol
SMILESCc1cc(CC(C)CO)sn1
InChIInChI=1S/C8H13NOS/c1-6(5-10)3-8-4-7(2)9-11-8/h4,6,10H,3,5H2,1-2H3
InChIKeyAUZJDAQRHNGMNI-UHFFFAOYSA-N
MW171.26 g/mol
LogP1.62
Rot. Bonds3

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

2-methyl-3-(3-methyl-1,2-thiazol-5-yl)propan-1-ol (PubChem CID 127016573) has the molecular formula C8H13NOS and a molecular weight of 171.26 g/mol. Its IUPAC name is 2-methyl-3-(3-methyl-1,2-thiazol-5-yl)propan-1-ol.

Molecular Properties

Compound Name2-methyl-3-(3-methyl-1,2-thiazol-5-yl)propan-1-ol
PubChem CID127016573
Molecular FormulaC8H13NOS
Molecular Weight171.26 g/mol
Exact Mass171.07
IUPAC Name2-methyl-3-(3-methyl-1,2-thiazol-5-yl)propan-1-ol
SMILESCc1cc(CC(C)CO)sn1
InChIInChI=1S/C8H13NOS/c1-6(5-10)3-8-4-7(2)9-11-8/h4,6,10H,3,5H2,1-2H3
InChIKeyAUZJDAQRHNGMNI-UHFFFAOYSA-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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Related Compounds

3,5-Di(propan-2-yl)-1,2-thiazole
CID 15621352
(3-Propan-2-yl-1,2-thiazol-5-yl)methanol
CID 18759003
(3-t-Butyl-isothiazol-5-yl)methanol
CID 57736297
3-Methyl-5-(2-methylpropyl)-1,2-thiazole
CID 58357255
5-Ethyl-3-propan-2-yl-1,2-thiazole
CID 60102745
3-Ethyl-5-propan-2-yl-1,2-thiazole
CID 60102786
(5-Isopropyl-isothiazol-3-yl)-methanol
CID 68731053
Ethane;5-ethyl-3-propan-2-yl-1,2-thiazole
CID 176938142
3-(3-Methyl-1,2-thiazol-5-yl)butanoic acid
CID 82602163
2-(3-Methyl-1,2-thiazol-5-yl)ethan-1-ol
CID 83674199
I+/-,3-Dimethyl-5-isothiazoleethanol
CID 83675112
3-(3-Methyl-1,2-thiazol-5-yl)propan-1-ol
CID 126985734

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(3-methyl-1,2-thiazol-5-yl)propan-1-ol?
The IUPAC name of 2-methyl-3-(3-methyl-1,2-thiazol-5-yl)propan-1-ol (CID 127016573) is 2-methyl-3-(3-methyl-1,2-thiazol-5-yl)propan-1-ol.
What is the SMILES notation for 2-methyl-3-(3-methyl-1,2-thiazol-5-yl)propan-1-ol?
The canonical SMILES for 2-methyl-3-(3-methyl-1,2-thiazol-5-yl)propan-1-ol is Cc1cc(CC(C)CO)sn1.
What is the InChIKey of 2-methyl-3-(3-methyl-1,2-thiazol-5-yl)propan-1-ol?
The InChIKey is AUZJDAQRHNGMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NOS/c1-6(5-10)3-8-4-7(2)9-11-8/h4,6,10H,3,5H2,1-2H3.
What are the key properties of 2-methyl-3-(3-methyl-1,2-thiazol-5-yl)propan-1-ol?
2-methyl-3-(3-methyl-1,2-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 2-methyl-3-(3-methyl-1,2-thiazol-5-yl)propan-1-ol is sourced from PubChem (CID 127016573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).