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

C7H11NOS — CID 126985734

IUPAC3-(3-methyl-1,2-thiazol-5-yl)propan-1-ol
SMILESCc1cc(CCCO)sn1
InChIInChI=1S/C7H11NOS/c1-6-5-7(10-8-6)3-2-4-9/h5,9H,2-4H2,1H3
InChIKeyAGBIDIWQBSTFBN-UHFFFAOYSA-N
MW157.24 g/mol
LogP1.38
Rot. Bonds3

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

3-(3-methyl-1,2-thiazol-5-yl)propan-1-ol (PubChem CID 126985734) has the molecular formula C7H11NOS and a molecular weight of 157.24 g/mol. Its IUPAC name is 3-(3-methyl-1,2-thiazol-5-yl)propan-1-ol.

Molecular Properties

Compound Name3-(3-methyl-1,2-thiazol-5-yl)propan-1-ol
PubChem CID126985734
Molecular FormulaC7H11NOS
Molecular Weight157.24 g/mol
Exact Mass157.06
IUPAC Name3-(3-methyl-1,2-thiazol-5-yl)propan-1-ol
SMILESCc1cc(CCCO)sn1
InChIInChI=1S/C7H11NOS/c1-6-5-7(10-8-6)3-2-4-9/h5,9H,2-4H2,1H3
InChIKeyAGBIDIWQBSTFBN-UHFFFAOYSA-N
XLogP1.38
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.24
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Methyl-5-propyl-1,2-thiazole
CID 57027574
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CID 45085688
3,5-Diethyl-1,2-thiazole
CID 15621350
3-Ethyl-5-isothiazolemethanol
CID 89816508
(5-Ethylisothiazol-3-yl)methanol
CID 164719542
4-(1,2-Thiazol-5-yl)butan-1-ol
CID 165722927
4-(1,2-Thiazol-3-yl)butan-1-ol
CID 173009651
3-(3-Methyl-1,2-thiazol-5-yl)propanoic acid
CID 82412106
2-(3-Methyl-1,2-thiazol-5-yl)ethan-1-ol
CID 83674199
I+/-,3-Dimethyl-5-isothiazoleethanol
CID 83675112
4-(3-Methyl-1,2-thiazol-5-yl)but-3-yn-1-ol
CID 126985758
2-Methyl-3-(3-methyl-1,2-thiazol-5-yl)propan-1-ol
CID 127016573

Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-1,2-thiazol-5-yl)propan-1-ol?
The IUPAC name of 3-(3-methyl-1,2-thiazol-5-yl)propan-1-ol (CID 126985734) is 3-(3-methyl-1,2-thiazol-5-yl)propan-1-ol.
What is the SMILES notation for 3-(3-methyl-1,2-thiazol-5-yl)propan-1-ol?
The canonical SMILES for 3-(3-methyl-1,2-thiazol-5-yl)propan-1-ol is Cc1cc(CCCO)sn1.
What is the InChIKey of 3-(3-methyl-1,2-thiazol-5-yl)propan-1-ol?
The InChIKey is AGBIDIWQBSTFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NOS/c1-6-5-7(10-8-6)3-2-4-9/h5,9H,2-4H2,1H3.
What are the key properties of 3-(3-methyl-1,2-thiazol-5-yl)propan-1-ol?
3-(3-methyl-1,2-thiazol-5-yl)propan-1-ol has a molecular weight of 157.24 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-1,2-thiazol-5-yl)propan-1-ol is sourced from PubChem (CID 126985734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).