(2S)-2,3-dimethyl-2H-1,3-thiazole

C5H9NS — CID 59864797

IUPAC(2S)-2,3-dimethyl-2H-1,3-thiazole
SMILESC[C@@H]1SC=CN1C
InChIInChI=1S/C5H9NS/c1-5-6(2)3-4-7-5/h3-5H,1-2H3/t5-/m0/s1
InChIKeyUDSZGVPTVATORB-YFKPBYRVSA-N
MW115.20 g/mol
LogP1.48
Rot. Bonds

About (2S)-2,3-dimethyl-2H-1,3-thiazole

(2S)-2,3-dimethyl-2H-1,3-thiazole (PubChem CID 59864797) has the molecular formula C5H9NS and a molecular weight of 115.20 g/mol. Its IUPAC name is (2S)-2,3-dimethyl-2H-1,3-thiazole.

Molecular Properties

Compound Name(2S)-2,3-dimethyl-2H-1,3-thiazole
PubChem CID59864797
Molecular FormulaC5H9NS
Molecular Weight115.20 g/mol
Exact Mass115.05
IUPAC Name(2S)-2,3-dimethyl-2H-1,3-thiazole
SMILESC[C@@H]1SC=CN1C
InChIInChI=1S/C5H9NS/c1-5-6(2)3-4-7-5/h3-5H,1-2H3/t5-/m0/s1
InChIKeyUDSZGVPTVATORB-YFKPBYRVSA-N
XLogP1.48
TPSA3.24 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 ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2,3-dimethyl-2H-1,3-thiazole?
The IUPAC name of (2S)-2,3-dimethyl-2H-1,3-thiazole (CID 59864797) is (2S)-2,3-dimethyl-2H-1,3-thiazole.
What is the SMILES notation for (2S)-2,3-dimethyl-2H-1,3-thiazole?
The canonical SMILES for (2S)-2,3-dimethyl-2H-1,3-thiazole is C[C@@H]1SC=CN1C.
What is the InChIKey of (2S)-2,3-dimethyl-2H-1,3-thiazole?
The InChIKey is UDSZGVPTVATORB-YFKPBYRVSA-N. The full InChI is InChI=1S/C5H9NS/c1-5-6(2)3-4-7-5/h3-5H,1-2H3/t5-/m0/s1.
What are the key properties of (2S)-2,3-dimethyl-2H-1,3-thiazole?
(2S)-2,3-dimethyl-2H-1,3-thiazole has a molecular weight of 115.20 g/mol, XLogP of 1.48, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,3-dimethyl-2H-1,3-thiazole is sourced from PubChem (CID 59864797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).