2,4-dimethyl-4,5-dihydro-1,3-thiazole

C5H9NS — CID 535043

IUPAC2,4-dimethyl-4,5-dihydro-1,3-thiazole
SMILESCC1=NC(C)CS1
InChIInChI=1S/C5H9NS/c1-4-3-7-5(2)6-4/h4H,3H2,1-2H3
InChIKeyDGGUAAPXUKWYNK-UHFFFAOYSA-N
MW115.20 g/mol
LogP1.54
Rot. Bonds

About 2,4-dimethyl-4,5-dihydro-1,3-thiazole

2,4-dimethyl-4,5-dihydro-1,3-thiazole (PubChem CID 535043) has the molecular formula C5H9NS and a molecular weight of 115.20 g/mol. Its IUPAC name is 2,4-dimethyl-4,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name2,4-dimethyl-4,5-dihydro-1,3-thiazole
PubChem CID535043
Molecular FormulaC5H9NS
Molecular Weight115.20 g/mol
Exact Mass115.05
IUPAC Name2,4-dimethyl-4,5-dihydro-1,3-thiazole
SMILESCC1=NC(C)CS1
InChIInChI=1S/C5H9NS/c1-4-3-7-5(2)6-4/h4H,3H2,1-2H3
InChIKeyDGGUAAPXUKWYNK-UHFFFAOYSA-N
XLogP1.54
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.20
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-methyl-4,5-dihydro-1,3-thiazole
CID 68609538
(4R)-4-methyl-2-(4-methylphenyl)-4,5-dihydro-1,3-thiazole
CID 58348711
2-methyl-4-(trifluoromethyl)-4,5-dihydro-1,3-thiazole
CID 59168900
3-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)sulfanyl]propan-1-amine
CID 84662890
N,2-dimethyl-4,5-dihydro-1,3-thiazole-4-carboxamide
CID 90126407
4-methyl-N-(5-methylhexan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 63925920
4-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)sulfanyl]butanenitrile
CID 75392179
2-(3,5-dimethyl-2-pyridinyl)-4-methyl-4,5-dihydro-1,3-thiazole
CID 146351517
N-(3,4-dimethylphenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 43440032
N-butan-2-yl-4-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 43439567
4-methyl-N-(2-methylbutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 43439547
4-[(4R)-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]-2-(2-methyl-1,3-thiazol-4-yl)-1,3-oxazole
CID 163902915

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-4,5-dihydro-1,3-thiazole?
The IUPAC name of 2,4-dimethyl-4,5-dihydro-1,3-thiazole (CID 535043) is 2,4-dimethyl-4,5-dihydro-1,3-thiazole.
What is the SMILES notation for 2,4-dimethyl-4,5-dihydro-1,3-thiazole?
The canonical SMILES for 2,4-dimethyl-4,5-dihydro-1,3-thiazole is CC1=NC(C)CS1.
What is the InChIKey of 2,4-dimethyl-4,5-dihydro-1,3-thiazole?
The InChIKey is DGGUAAPXUKWYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NS/c1-4-3-7-5(2)6-4/h4H,3H2,1-2H3.
What are the key properties of 2,4-dimethyl-4,5-dihydro-1,3-thiazole?
2,4-dimethyl-4,5-dihydro-1,3-thiazole has a molecular weight of 115.20 g/mol, XLogP of 1.54, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-4,5-dihydro-1,3-thiazole is sourced from PubChem (CID 535043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).