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

C4H7NS — CID 66635537

IUPAC5-methyl-2,3-dihydro-1,3-thiazole
SMILESCC1=CNCS1
InChIInChI=1S/C4H7NS/c1-4-2-5-3-6-4/h2,5H,3H2,1H3
InChIKeyHPQZUPATGSTKKH-UHFFFAOYSA-N
MW101.17 g/mol
LogP1.14
Rot. Bonds

About 5-methyl-2,3-dihydro-1,3-thiazole

5-methyl-2,3-dihydro-1,3-thiazole (PubChem CID 66635537) has the molecular formula C4H7NS and a molecular weight of 101.17 g/mol. Its IUPAC name is 5-methyl-2,3-dihydro-1,3-thiazole.

Molecular Properties

Compound Name5-methyl-2,3-dihydro-1,3-thiazole
PubChem CID66635537
Molecular FormulaC4H7NS
Molecular Weight101.17 g/mol
Exact Mass101.03
IUPAC Name5-methyl-2,3-dihydro-1,3-thiazole
SMILESCC1=CNCS1
InChIInChI=1S/C4H7NS/c1-4-2-5-3-6-4/h2,5H,3H2,1H3
InChIKeyHPQZUPATGSTKKH-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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Related Compounds

5-Methylthiazole-2(3H)-thione
CID 12944851
2-Fluoro-5-methyl-2,3-dihydro-1,3-thiazole
CID 163601314
5-(1-Fluoroethenyl)-2,3-dihydro-1,3-thiazole
CID 145093659
5-(methylsulfanylmethyl)-3H-1,3-thiazole-2-thione
CID 70038130
2,5-Dimethyl-2,3-dihydro-1,3-thiazole
CID 89076192
2-Chloro-5-methyl-2,3-dihydro-1,3-thiazole
CID 89105150
5-Ethyl-2,3-dihydro-1,3-thiazole
CID 117713740
(Z)-2-(iodomethylsulfanyl)-N-methylprop-1-en-1-amine
CID 117829271
(Z)-N-methyl-2-methylsulfanylprop-1-en-1-amine
CID 129051264
5-(Methylaminomethyl)-2,3-dihydro-1,3-thiazol-2-amine
CID 132194890
5-Ethenyl-2,3-dihydro-1,3-thiazole
CID 134536833
5-Methyl-2,3-dihydro-1,3-thiazol-2-amine
CID 139307343

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2,3-dihydro-1,3-thiazole?
The IUPAC name of 5-methyl-2,3-dihydro-1,3-thiazole (CID 66635537) is 5-methyl-2,3-dihydro-1,3-thiazole.
What is the SMILES notation for 5-methyl-2,3-dihydro-1,3-thiazole?
The canonical SMILES for 5-methyl-2,3-dihydro-1,3-thiazole is CC1=CNCS1.
What is the InChIKey of 5-methyl-2,3-dihydro-1,3-thiazole?
The InChIKey is HPQZUPATGSTKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NS/c1-4-2-5-3-6-4/h2,5H,3H2,1H3.
What are the key properties of 5-methyl-2,3-dihydro-1,3-thiazole?
5-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 5-methyl-2,3-dihydro-1,3-thiazole is sourced from PubChem (CID 66635537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).