4-methyl-4,5-dihydro-1,3-thiazole

C4H7NS — CID 21278646

IUPAC4-methyl-4,5-dihydro-1,3-thiazole
SMILESCC1CSC=N1
InChIInChI=1S/C4H7NS/c1-4-2-6-3-5-4/h3-4H,2H2,1H3
InChIKeySRGCYOMCADXFJA-UHFFFAOYSA-N
MW101.17 g/mol
LogP1.15
Rot. Bonds

About 4-methyl-4,5-dihydro-1,3-thiazole

4-methyl-4,5-dihydro-1,3-thiazole (PubChem CID 21278646) has the molecular formula C4H7NS and a molecular weight of 101.17 g/mol. Its IUPAC name is 4-methyl-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-4,5-dihydro-1,3-thiazole
PubChem CID21278646
Molecular FormulaC4H7NS
Molecular Weight101.17 g/mol
Exact Mass101.03
IUPAC Name4-methyl-4,5-dihydro-1,3-thiazole
SMILESCC1CSC=N1
InChIInChI=1S/C4H7NS/c1-4-2-6-3-5-4/h3-4H,2H2,1H3
InChIKeySRGCYOMCADXFJA-UHFFFAOYSA-N
XLogP1.15
TPSA12.36 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 ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-Methyl-4,5-dihydro-1,3-thiazole
CID 13901673
(s)-4-Isopropyl-4,5-dihydro-thiazole
CID 101620143
3,4-Dimethyl-4,5-dihydro-1,3-thiazol-3-ium
CID 19826786
4-(Fluoromethyl)-4,5-dihydro-1,3-thiazole
CID 173379042
2-Thia-4-azabicyclo[3.1.0]hex-3-ene
CID 153686054
4-Methyl-2-methylthio-1,3-thiazoline
CID 4689446
5-Ethyl-4,5-dihydro-1,3-thiazole
CID 13901674
4-Ethyl-4,5-dihydro-1,3-thiazole
CID 13901675
4,5-Dimethyl-4,5-dihydro-1,3-thiazole
CID 18350318
2-Chloro-4-methyl-4,5-dihydro-1,3-thiazole
CID 22247670
(4S)-4-methyl-2-methylsulfanyl-4,5-dihydro-1,3-thiazole
CID 40544049
3,4-Dimethyl-1-sulfanylidene-4,5-dihydro-1,3-thiazol-3-ium
CID 57201290

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4,5-dihydro-1,3-thiazole?
The IUPAC name of 4-methyl-4,5-dihydro-1,3-thiazole (CID 21278646) is 4-methyl-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for 4-methyl-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 4-methyl-4,5-dihydro-1,3-thiazole is CC1CSC=N1.
What is the InChIKey of 4-methyl-4,5-dihydro-1,3-thiazole?
The InChIKey is SRGCYOMCADXFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NS/c1-4-2-6-3-5-4/h3-4H,2H2,1H3.
What are the key properties of 4-methyl-4,5-dihydro-1,3-thiazole?
4-methyl-4,5-dihydro-1,3-thiazole has a molecular weight of 101.17 g/mol, XLogP of 1.15, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 21278646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).