4-methyl-2,3-dihydro-1,3-thiazole

C4H7NS — CID 14942816

IUPAC4-methyl-2,3-dihydro-1,3-thiazole
SMILESCC1=CSCN1
InChIInChI=1S/C4H7NS/c1-4-2-6-3-5-4/h2,5H,3H2,1H3
InChIKeyJURUUEKAMPFSMA-UHFFFAOYSA-N
MW101.17 g/mol
LogP1.14
Rot. Bonds

About 4-methyl-2,3-dihydro-1,3-thiazole

4-methyl-2,3-dihydro-1,3-thiazole (PubChem CID 14942816) has the molecular formula C4H7NS and a molecular weight of 101.17 g/mol. Its IUPAC name is 4-methyl-2,3-dihydro-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2,3-dihydro-1,3-thiazole
PubChem CID14942816
Molecular FormulaC4H7NS
Molecular Weight101.17 g/mol
Exact Mass101.03
IUPAC Name4-methyl-2,3-dihydro-1,3-thiazole
SMILESCC1=CSCN1
InChIInChI=1S/C4H7NS/c1-4-2-6-3-5-4/h2,5H,3H2,1H3
InChIKeyJURUUEKAMPFSMA-UHFFFAOYSA-N
XLogP1.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.17
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2,3-dihydro-1,3-thiazole?
The IUPAC name of 4-methyl-2,3-dihydro-1,3-thiazole (CID 14942816) is 4-methyl-2,3-dihydro-1,3-thiazole.
What is the SMILES notation for 4-methyl-2,3-dihydro-1,3-thiazole?
The canonical SMILES for 4-methyl-2,3-dihydro-1,3-thiazole is CC1=CSCN1.
What is the InChIKey of 4-methyl-2,3-dihydro-1,3-thiazole?
The InChIKey is JURUUEKAMPFSMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NS/c1-4-2-6-3-5-4/h2,5H,3H2,1H3.
What are the key properties of 4-methyl-2,3-dihydro-1,3-thiazole?
4-methyl-2,3-dihydro-1,3-thiazole has a molecular weight of 101.17 g/mol, XLogP of 1.14, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2,3-dihydro-1,3-thiazole is sourced from PubChem (CID 14942816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).