2,4-dimethyl-5-propyl-1,3-thiazole

C8H13NS — CID 521079

IUPAC2,4-dimethyl-5-propyl-1,3-thiazole
SMILESCCCc1sc(C)nc1C
InChIInChI=1S/C8H13NS/c1-4-5-8-6(2)9-7(3)10-8/h4-5H2,1-3H3
InChIKeyBNONKJGVAXAEFW-UHFFFAOYSA-N
MW155.27 g/mol
LogP2.71
Rot. Bonds2

About 2,4-dimethyl-5-propyl-1,3-thiazole

2,4-dimethyl-5-propyl-1,3-thiazole (PubChem CID 521079) has the molecular formula C8H13NS and a molecular weight of 155.27 g/mol. Its IUPAC name is 2,4-dimethyl-5-propyl-1,3-thiazole.

Molecular Properties

Compound Name2,4-dimethyl-5-propyl-1,3-thiazole
PubChem CID521079
Molecular FormulaC8H13NS
Molecular Weight155.27 g/mol
Exact Mass155.08
IUPAC Name2,4-dimethyl-5-propyl-1,3-thiazole
SMILESCCCc1sc(C)nc1C
InChIInChI=1S/C8H13NS/c1-4-5-8-6(2)9-7(3)10-8/h4-5H2,1-3H3
InChIKeyBNONKJGVAXAEFW-UHFFFAOYSA-N
XLogP2.71
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.27
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-propyl-1,3-thiazole?
The IUPAC name of 2,4-dimethyl-5-propyl-1,3-thiazole (CID 521079) is 2,4-dimethyl-5-propyl-1,3-thiazole.
What is the SMILES notation for 2,4-dimethyl-5-propyl-1,3-thiazole?
The canonical SMILES for 2,4-dimethyl-5-propyl-1,3-thiazole is CCCc1sc(C)nc1C.
What is the InChIKey of 2,4-dimethyl-5-propyl-1,3-thiazole?
The InChIKey is BNONKJGVAXAEFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NS/c1-4-5-8-6(2)9-7(3)10-8/h4-5H2,1-3H3.
What are the key properties of 2,4-dimethyl-5-propyl-1,3-thiazole?
2,4-dimethyl-5-propyl-1,3-thiazole has a molecular weight of 155.27 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-propyl-1,3-thiazole is sourced from PubChem (CID 521079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).