5,5-dimethyl-2H-1,3-thiazole

C5H9NS — CID 14907525

IUPAC5,5-dimethyl-2H-1,3-thiazole
SMILESCC1(C)C=NCS1
InChIInChI=1S/C5H9NS/c1-5(2)3-6-4-7-5/h3H,4H2,1-2H3
InChIKeyTTZITIBESASVDV-UHFFFAOYSA-N
MW115.20 g/mol
LogP1.54
Rot. Bonds

About 5,5-dimethyl-2H-1,3-thiazole

5,5-dimethyl-2H-1,3-thiazole (PubChem CID 14907525) has the molecular formula C5H9NS and a molecular weight of 115.20 g/mol. Its IUPAC name is 5,5-dimethyl-2H-1,3-thiazole.

Molecular Properties

Compound Name5,5-dimethyl-2H-1,3-thiazole
PubChem CID14907525
Molecular FormulaC5H9NS
Molecular Weight115.20 g/mol
Exact Mass115.05
IUPAC Name5,5-dimethyl-2H-1,3-thiazole
SMILESCC1(C)C=NCS1
InChIInChI=1S/C5H9NS/c1-5(2)3-6-4-7-5/h3H,4H2,1-2H3
InChIKeyTTZITIBESASVDV-UHFFFAOYSA-N
XLogP1.54
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.20
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2H-1,3-thiazole?
The IUPAC name of 5,5-dimethyl-2H-1,3-thiazole (CID 14907525) is 5,5-dimethyl-2H-1,3-thiazole.
What is the SMILES notation for 5,5-dimethyl-2H-1,3-thiazole?
The canonical SMILES for 5,5-dimethyl-2H-1,3-thiazole is CC1(C)C=NCS1.
What is the InChIKey of 5,5-dimethyl-2H-1,3-thiazole?
The InChIKey is TTZITIBESASVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NS/c1-5(2)3-6-4-7-5/h3H,4H2,1-2H3.
What are the key properties of 5,5-dimethyl-2H-1,3-thiazole?
5,5-dimethyl-2H-1,3-thiazole has a molecular weight of 115.20 g/mol, XLogP of 1.54, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2H-1,3-thiazole is sourced from PubChem (CID 14907525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).