2,4-dimethyl-1,3-thiazole;propan-1-ol

C8H15NOS — CID 143713331

IUPAC2,4-dimethyl-1,3-thiazole;propan-1-ol
SMILESCCCO.Cc1csc(C)n1
InChIInChI=1S/C5H7NS.C3H8O/c1-4-3-7-5(2)6-4;1-2-3-4/h3H,1-2H3;4H,2-3H2,1H3
InChIKeyXXLRHHABEWVMGG-UHFFFAOYSA-N
MW173.28 g/mol
LogP2.15
Rot. Bonds1

About 2,4-dimethyl-1,3-thiazole;propan-1-ol

2,4-dimethyl-1,3-thiazole;propan-1-ol (PubChem CID 143713331) has the molecular formula C8H15NOS and a molecular weight of 173.28 g/mol. Its IUPAC name is 2,4-dimethyl-1,3-thiazole;propan-1-ol.

Molecular Properties

Compound Name2,4-dimethyl-1,3-thiazole;propan-1-ol
PubChem CID143713331
Molecular FormulaC8H15NOS
Molecular Weight173.28 g/mol
Exact Mass173.09
IUPAC Name2,4-dimethyl-1,3-thiazole;propan-1-ol
SMILESCCCO.Cc1csc(C)n1
InChIInChI=1S/C5H7NS.C3H8O/c1-4-3-7-5(2)6-4;1-2-3-4/h3H,1-2H3;4H,2-3H2,1H3
InChIKeyXXLRHHABEWVMGG-UHFFFAOYSA-N
XLogP2.15
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.28
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1,3-thiazole;propan-1-ol?
The IUPAC name of 2,4-dimethyl-1,3-thiazole;propan-1-ol (CID 143713331) is 2,4-dimethyl-1,3-thiazole;propan-1-ol.
What is the SMILES notation for 2,4-dimethyl-1,3-thiazole;propan-1-ol?
The canonical SMILES for 2,4-dimethyl-1,3-thiazole;propan-1-ol is CCCO.Cc1csc(C)n1.
What is the InChIKey of 2,4-dimethyl-1,3-thiazole;propan-1-ol?
The InChIKey is XXLRHHABEWVMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NS.C3H8O/c1-4-3-7-5(2)6-4;1-2-3-4/h3H,1-2H3;4H,2-3H2,1H3.
What are the key properties of 2,4-dimethyl-1,3-thiazole;propan-1-ol?
2,4-dimethyl-1,3-thiazole;propan-1-ol has a molecular weight of 173.28 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1,3-thiazole;propan-1-ol is sourced from PubChem (CID 143713331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).