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

C5H9NS — CID 20573948

IUPAC4,5-dimethyl-2,3-dihydro-1,3-thiazole
SMILESCC1=C(C)SCN1
InChIInChI=1S/C5H9NS/c1-4-5(2)7-3-6-4/h6H,3H2,1-2H3
InChIKeyPUTSDLCZALHLPF-UHFFFAOYSA-N
MW115.20 g/mol
LogP1.53
Rot. Bonds

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

4,5-dimethyl-2,3-dihydro-1,3-thiazole (PubChem CID 20573948) has the molecular formula C5H9NS and a molecular weight of 115.20 g/mol. Its IUPAC name is 4,5-dimethyl-2,3-dihydro-1,3-thiazole.

Molecular Properties

Compound Name4,5-dimethyl-2,3-dihydro-1,3-thiazole
PubChem CID20573948
Molecular FormulaC5H9NS
Molecular Weight115.20 g/mol
Exact Mass115.05
IUPAC Name4,5-dimethyl-2,3-dihydro-1,3-thiazole
SMILESCC1=C(C)SCN1
InChIInChI=1S/C5H9NS/c1-4-5(2)7-3-6-4/h6H,3H2,1-2H3
InChIKeyPUTSDLCZALHLPF-UHFFFAOYSA-N
XLogP1.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.20
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2,3-dihydro-1,3-thiazole?
The IUPAC name of 4,5-dimethyl-2,3-dihydro-1,3-thiazole (CID 20573948) is 4,5-dimethyl-2,3-dihydro-1,3-thiazole.
What is the SMILES notation for 4,5-dimethyl-2,3-dihydro-1,3-thiazole?
The canonical SMILES for 4,5-dimethyl-2,3-dihydro-1,3-thiazole is CC1=C(C)SCN1.
What is the InChIKey of 4,5-dimethyl-2,3-dihydro-1,3-thiazole?
The InChIKey is PUTSDLCZALHLPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NS/c1-4-5(2)7-3-6-4/h6H,3H2,1-2H3.
What are the key properties of 4,5-dimethyl-2,3-dihydro-1,3-thiazole?
4,5-dimethyl-2,3-dihydro-1,3-thiazole has a molecular weight of 115.20 g/mol, XLogP of 1.53, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2,3-dihydro-1,3-thiazole is sourced from PubChem (CID 20573948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).