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

C10H13NOS — CID 131190546

IUPAC3-methyl-1-(3-methyl-1,2-thiazol-5-yl)pent-1-yn-3-ol
SMILESCCC(C)(O)C#Cc1cc(C)ns1
InChIInChI=1S/C10H13NOS/c1-4-10(3,12)6-5-9-7-8(2)11-13-9/h7,12H,4H2,1-3H3
InChIKeyOMLAXMWSEWWQSV-UHFFFAOYSA-N
MW195.29 g/mol
LogP1.96
Rot. Bonds1

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

3-methyl-1-(3-methyl-1,2-thiazol-5-yl)pent-1-yn-3-ol (PubChem CID 131190546) has the molecular formula C10H13NOS and a molecular weight of 195.29 g/mol. Its IUPAC name is 3-methyl-1-(3-methyl-1,2-thiazol-5-yl)pent-1-yn-3-ol.

Molecular Properties

Compound Name3-methyl-1-(3-methyl-1,2-thiazol-5-yl)pent-1-yn-3-ol
PubChem CID131190546
Molecular FormulaC10H13NOS
Molecular Weight195.29 g/mol
Exact Mass195.07
IUPAC Name3-methyl-1-(3-methyl-1,2-thiazol-5-yl)pent-1-yn-3-ol
SMILESCCC(C)(O)C#Cc1cc(C)ns1
InChIInChI=1S/C10H13NOS/c1-4-10(3,12)6-5-9-7-8(2)11-13-9/h7,12H,4H2,1-3H3
InChIKeyOMLAXMWSEWWQSV-UHFFFAOYSA-N
XLogP1.96
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-Methyl-5-prop-1-ynyl-1,2-thiazole
CID 54346384
3-Ethynyl-5-methyl-1,2-thiazole
CID 89053236
5-Ethynyl-3-methyl-1,2-thiazole
CID 118466015
5-But-1-ynyl-3-methyl-1,2-thiazole
CID 135142135
5-But-3-en-1-ynyl-3-methyl-1,2-thiazole
CID 142379201
Ethane;3-ethynyl-5-methyl-1,2-thiazole
CID 145527549
4-(3-Methyl-1,2-thiazol-5-yl)but-3-yn-1-ol
CID 126985758
3-(3-Methyl-1,2-thiazol-5-yl)prop-2-yn-1-ol
CID 130624588
3-(3-Methyl-1,2-thiazol-5-yl)prop-2-ynoic acid
CID 131020703
2-Methyl-4-(3-methyl-1,2-thiazol-5-yl)but-3-yn-2-ol
CID 131075662
1-[2-(3-Methyl-1,2-thiazol-5-yl)ethynyl]cyclopropan-1-ol
CID 164660795

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(3-methyl-1,2-thiazol-5-yl)pent-1-yn-3-ol?
The IUPAC name of 3-methyl-1-(3-methyl-1,2-thiazol-5-yl)pent-1-yn-3-ol (CID 131190546) is 3-methyl-1-(3-methyl-1,2-thiazol-5-yl)pent-1-yn-3-ol.
What is the SMILES notation for 3-methyl-1-(3-methyl-1,2-thiazol-5-yl)pent-1-yn-3-ol?
The canonical SMILES for 3-methyl-1-(3-methyl-1,2-thiazol-5-yl)pent-1-yn-3-ol is CCC(C)(O)C#Cc1cc(C)ns1.
What is the InChIKey of 3-methyl-1-(3-methyl-1,2-thiazol-5-yl)pent-1-yn-3-ol?
The InChIKey is OMLAXMWSEWWQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NOS/c1-4-10(3,12)6-5-9-7-8(2)11-13-9/h7,12H,4H2,1-3H3.
What are the key properties of 3-methyl-1-(3-methyl-1,2-thiazol-5-yl)pent-1-yn-3-ol?
3-methyl-1-(3-methyl-1,2-thiazol-5-yl)pent-1-yn-3-ol has a molecular weight of 195.29 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(3-methyl-1,2-thiazol-5-yl)pent-1-yn-3-ol is sourced from PubChem (CID 131190546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).