2-methyl-4-(2-methylprop-1-enyl)-2,3-dihydro-1,3-thiazole

C8H13NS — CID 143124040

IUPAC2-methyl-4-(2-methylprop-1-enyl)-2,3-dihydro-1,3-thiazole
SMILESCC(C)=CC1=CSC(C)N1
InChIInChI=1S/C8H13NS/c1-6(2)4-8-5-10-7(3)9-8/h4-5,7,9H,1-3H3
InChIKeyNYXLQTSLUKUSKL-UHFFFAOYSA-N
MW155.27 g/mol
LogP2.48
Rot. Bonds1

About 2-methyl-4-(2-methylprop-1-enyl)-2,3-dihydro-1,3-thiazole

2-methyl-4-(2-methylprop-1-enyl)-2,3-dihydro-1,3-thiazole (PubChem CID 143124040) has the molecular formula C8H13NS and a molecular weight of 155.27 g/mol. Its IUPAC name is 2-methyl-4-(2-methylprop-1-enyl)-2,3-dihydro-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-4-(2-methylprop-1-enyl)-2,3-dihydro-1,3-thiazole
PubChem CID143124040
Molecular FormulaC8H13NS
Molecular Weight155.27 g/mol
Exact Mass155.08
IUPAC Name2-methyl-4-(2-methylprop-1-enyl)-2,3-dihydro-1,3-thiazole
SMILESCC(C)=CC1=CSC(C)N1
InChIInChI=1S/C8H13NS/c1-6(2)4-8-5-10-7(3)9-8/h4-5,7,9H,1-3H3
InChIKeyNYXLQTSLUKUSKL-UHFFFAOYSA-N
XLogP2.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.27
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2E,4Z)-2-methylsulfanyl-N-prop-1-en-2-ylhexa-2,4-dien-1-amine
CID 89088796
4-Ethenyl-2-methyl-2,3-dihydro-1,3-thiazole
CID 89097205
5-ethenyl-4-[(Z)-prop-1-enyl]-2,3-dihydro-1,3-thiazole
CID 121275139
4-[(Z)-prop-1-enyl]-5-[(E)-prop-1-enyl]-2,3-dihydro-1,3-thiazole
CID 141790160
ethane;2-methyl-4-[(E)-2-(3-methylbut-2-en-2-ylsulfanyl)ethenyl]-5-[(E)-prop-1-enyl]-2,3-dihydro-1,3-thiazole
CID 141811446
(4E,5E)-4,5-di(ethylidene)-2-methyl-1,3-thiazolidine;ethane
CID 142056511
2-methyl-4-[(Z)-prop-1-enyl]-2,3-dihydro-1,3-thiazole
CID 142099508
4,5-Bis(ethenyl)-2-methyl-2,3-dihydro-1,3-thiazole
CID 142208699
(2R,4E,5E)-5-ethylidene-2-methyl-4-prop-2-enylidene-1,3-thiazolidine
CID 142272294
5-ethenyl-2-methyl-4-[(Z)-prop-1-enyl]-2,3-dihydro-1,3-thiazole
CID 142884232
2-methyl-4-[(E)-2-methylbut-1-enyl]-2,3-dihydro-1,3-thiazole
CID 143124042
4,5-Bis(ethenyl)-2-methyl-2,3-dihydro-1,3-thiazole;ethane
CID 143321442

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2-methylprop-1-enyl)-2,3-dihydro-1,3-thiazole?
The IUPAC name of 2-methyl-4-(2-methylprop-1-enyl)-2,3-dihydro-1,3-thiazole (CID 143124040) is 2-methyl-4-(2-methylprop-1-enyl)-2,3-dihydro-1,3-thiazole.
What is the SMILES notation for 2-methyl-4-(2-methylprop-1-enyl)-2,3-dihydro-1,3-thiazole?
The canonical SMILES for 2-methyl-4-(2-methylprop-1-enyl)-2,3-dihydro-1,3-thiazole is CC(C)=CC1=CSC(C)N1.
What is the InChIKey of 2-methyl-4-(2-methylprop-1-enyl)-2,3-dihydro-1,3-thiazole?
The InChIKey is NYXLQTSLUKUSKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NS/c1-6(2)4-8-5-10-7(3)9-8/h4-5,7,9H,1-3H3.
What are the key properties of 2-methyl-4-(2-methylprop-1-enyl)-2,3-dihydro-1,3-thiazole?
2-methyl-4-(2-methylprop-1-enyl)-2,3-dihydro-1,3-thiazole has a molecular weight of 155.27 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2-methylprop-1-enyl)-2,3-dihydro-1,3-thiazole is sourced from PubChem (CID 143124040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).