2-methyl-3H-1,2-thiazole

C4H7NS — CID 18676727

IUPAC2-methyl-3H-1,2-thiazole
SMILESCN1CC=CS1
InChIInChI=1S/C4H7NS/c1-5-3-2-4-6-5/h2,4H,3H2,1H3
InChIKeyJSTFROSQSCXFPA-UHFFFAOYSA-N
MW101.17 g/mol
LogP1.09
Rot. Bonds

About 2-methyl-3H-1,2-thiazole

2-methyl-3H-1,2-thiazole (PubChem CID 18676727) has the molecular formula C4H7NS and a molecular weight of 101.17 g/mol. Its IUPAC name is 2-methyl-3H-1,2-thiazole.

Molecular Properties

Compound Name2-methyl-3H-1,2-thiazole
PubChem CID18676727
Molecular FormulaC4H7NS
Molecular Weight101.17 g/mol
Exact Mass101.03
IUPAC Name2-methyl-3H-1,2-thiazole
SMILESCN1CC=CS1
InChIInChI=1S/C4H7NS/c1-5-3-2-4-6-5/h2,4H,3H2,1H3
InChIKeyJSTFROSQSCXFPA-UHFFFAOYSA-N
XLogP1.09
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.17
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3H-1,2-thiazole?
The IUPAC name of 2-methyl-3H-1,2-thiazole (CID 18676727) is 2-methyl-3H-1,2-thiazole.
What is the SMILES notation for 2-methyl-3H-1,2-thiazole?
The canonical SMILES for 2-methyl-3H-1,2-thiazole is CN1CC=CS1.
What is the InChIKey of 2-methyl-3H-1,2-thiazole?
The InChIKey is JSTFROSQSCXFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NS/c1-5-3-2-4-6-5/h2,4H,3H2,1H3.
What are the key properties of 2-methyl-3H-1,2-thiazole?
2-methyl-3H-1,2-thiazole has a molecular weight of 101.17 g/mol, XLogP of 1.09, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3H-1,2-thiazole is sourced from PubChem (CID 18676727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).