2,4-dimethyl-5-prop-1-en-2-yl-1,3-thiazole

C8H11NS — CID 89050646

IUPAC2,4-dimethyl-5-prop-1-en-2-yl-1,3-thiazole
SMILESC=C(C)c1sc(C)nc1C
InChIInChI=1S/C8H11NS/c1-5(2)8-6(3)9-7(4)10-8/h1H2,2-4H3
InChIKeyUIOLEIDMNWYGTO-UHFFFAOYSA-N
MW153.25 g/mol
LogP2.79
Rot. Bonds1

About 2,4-dimethyl-5-prop-1-en-2-yl-1,3-thiazole

2,4-dimethyl-5-prop-1-en-2-yl-1,3-thiazole (PubChem CID 89050646) has the molecular formula C8H11NS and a molecular weight of 153.25 g/mol. Its IUPAC name is 2,4-dimethyl-5-prop-1-en-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2,4-dimethyl-5-prop-1-en-2-yl-1,3-thiazole
PubChem CID89050646
Molecular FormulaC8H11NS
Molecular Weight153.25 g/mol
Exact Mass153.06
IUPAC Name2,4-dimethyl-5-prop-1-en-2-yl-1,3-thiazole
SMILESC=C(C)c1sc(C)nc1C
InChIInChI=1S/C8H11NS/c1-5(2)8-6(3)9-7(4)10-8/h1H2,2-4H3
InChIKeyUIOLEIDMNWYGTO-UHFFFAOYSA-N
XLogP2.79
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.25
LogP ≤ 52.79
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-prop-1-en-2-yl-1,3-thiazole?
The IUPAC name of 2,4-dimethyl-5-prop-1-en-2-yl-1,3-thiazole (CID 89050646) is 2,4-dimethyl-5-prop-1-en-2-yl-1,3-thiazole.
What is the SMILES notation for 2,4-dimethyl-5-prop-1-en-2-yl-1,3-thiazole?
The canonical SMILES for 2,4-dimethyl-5-prop-1-en-2-yl-1,3-thiazole is C=C(C)c1sc(C)nc1C.
What is the InChIKey of 2,4-dimethyl-5-prop-1-en-2-yl-1,3-thiazole?
The InChIKey is UIOLEIDMNWYGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NS/c1-5(2)8-6(3)9-7(4)10-8/h1H2,2-4H3.
What are the key properties of 2,4-dimethyl-5-prop-1-en-2-yl-1,3-thiazole?
2,4-dimethyl-5-prop-1-en-2-yl-1,3-thiazole has a molecular weight of 153.25 g/mol, XLogP of 2.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-prop-1-en-2-yl-1,3-thiazole is sourced from PubChem (CID 89050646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).