5-(1-cyclopropylideneethyl)-2,4-dimethyl-1,3-thiazole

C10H13NS — CID 89378696

IUPAC5-(1-cyclopropylideneethyl)-2,4-dimethyl-1,3-thiazole
SMILESCC(=C1CC1)c1sc(C)nc1C
InChIInChI=1S/C10H13NS/c1-6(9-4-5-9)10-7(2)11-8(3)12-10/h4-5H2,1-3H3
InChIKeySLEOGPUUZMVQEW-UHFFFAOYSA-N
MW179.29 g/mol
LogP3.33
Rot. Bonds1

About 5-(1-cyclopropylideneethyl)-2,4-dimethyl-1,3-thiazole

5-(1-cyclopropylideneethyl)-2,4-dimethyl-1,3-thiazole (PubChem CID 89378696) has the molecular formula C10H13NS and a molecular weight of 179.29 g/mol. Its IUPAC name is 5-(1-cyclopropylideneethyl)-2,4-dimethyl-1,3-thiazole.

Molecular Properties

Compound Name5-(1-cyclopropylideneethyl)-2,4-dimethyl-1,3-thiazole
PubChem CID89378696
Molecular FormulaC10H13NS
Molecular Weight179.29 g/mol
Exact Mass179.08
IUPAC Name5-(1-cyclopropylideneethyl)-2,4-dimethyl-1,3-thiazole
SMILESCC(=C1CC1)c1sc(C)nc1C
InChIInChI=1S/C10H13NS/c1-6(9-4-5-9)10-7(2)11-8(3)12-10/h4-5H2,1-3H3
InChIKeySLEOGPUUZMVQEW-UHFFFAOYSA-N
XLogP3.33
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.29
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(1-cyclopropylideneethyl)-2,4-dimethyl-1,3-thiazole?
The IUPAC name of 5-(1-cyclopropylideneethyl)-2,4-dimethyl-1,3-thiazole (CID 89378696) is 5-(1-cyclopropylideneethyl)-2,4-dimethyl-1,3-thiazole.
What is the SMILES notation for 5-(1-cyclopropylideneethyl)-2,4-dimethyl-1,3-thiazole?
The canonical SMILES for 5-(1-cyclopropylideneethyl)-2,4-dimethyl-1,3-thiazole is CC(=C1CC1)c1sc(C)nc1C.
What is the InChIKey of 5-(1-cyclopropylideneethyl)-2,4-dimethyl-1,3-thiazole?
The InChIKey is SLEOGPUUZMVQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NS/c1-6(9-4-5-9)10-7(2)11-8(3)12-10/h4-5H2,1-3H3.
What are the key properties of 5-(1-cyclopropylideneethyl)-2,4-dimethyl-1,3-thiazole?
5-(1-cyclopropylideneethyl)-2,4-dimethyl-1,3-thiazole has a molecular weight of 179.29 g/mol, XLogP of 3.33, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-cyclopropylideneethyl)-2,4-dimethyl-1,3-thiazole is sourced from PubChem (CID 89378696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).