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

C5H11NS — CID 18721523

IUPAC1,1-dimethyl-4,5-dihydro-1,3-thiazole
SMILESCS1(C)C=NCC1
InChIInChI=1S/C5H11NS/c1-7(2)4-3-6-5-7/h5H,3-4H2,1-2H3
InChIKeyYGIGHTLTHPZYLH-UHFFFAOYSA-N
MW117.22 g/mol
LogP1.09
Rot. Bonds

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

1,1-dimethyl-4,5-dihydro-1,3-thiazole (PubChem CID 18721523) has the molecular formula C5H11NS and a molecular weight of 117.22 g/mol. Its IUPAC name is 1,1-dimethyl-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name1,1-dimethyl-4,5-dihydro-1,3-thiazole
PubChem CID18721523
Molecular FormulaC5H11NS
Molecular Weight117.22 g/mol
Exact Mass117.06
IUPAC Name1,1-dimethyl-4,5-dihydro-1,3-thiazole
SMILESCS1(C)C=NCC1
InChIInChI=1S/C5H11NS/c1-7(2)4-3-6-5-7/h5H,3-4H2,1-2H3
InChIKeyYGIGHTLTHPZYLH-UHFFFAOYSA-N
XLogP1.09
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.22
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-4,5-dihydro-1,3-thiazole?
The IUPAC name of 1,1-dimethyl-4,5-dihydro-1,3-thiazole (CID 18721523) is 1,1-dimethyl-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for 1,1-dimethyl-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 1,1-dimethyl-4,5-dihydro-1,3-thiazole is CS1(C)C=NCC1.
What is the InChIKey of 1,1-dimethyl-4,5-dihydro-1,3-thiazole?
The InChIKey is YGIGHTLTHPZYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NS/c1-7(2)4-3-6-5-7/h5H,3-4H2,1-2H3.
What are the key properties of 1,1-dimethyl-4,5-dihydro-1,3-thiazole?
1,1-dimethyl-4,5-dihydro-1,3-thiazole has a molecular weight of 117.22 g/mol, XLogP of 1.09, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 18721523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).