2-methyl-4-[(E)-2-methylbut-1-enyl]-2,3-dihydro-1,3-thiazole

C9H15NS — CID 143124042

IUPAC2-methyl-4-[(E)-2-methylbut-1-enyl]-2,3-dihydro-1,3-thiazole
SMILESCC/C(C)=C/C1=CSC(C)N1
InChIInChI=1S/C9H15NS/c1-4-7(2)5-9-6-11-8(3)10-9/h5-6,8,10H,4H2,1-3H3/b7-5+
InChIKeyNNFJPRNTNFQWNB-FNORWQNLSA-N
MW169.29 g/mol
LogP2.87
Rot. Bonds2

About 2-methyl-4-[(E)-2-methylbut-1-enyl]-2,3-dihydro-1,3-thiazole

2-methyl-4-[(E)-2-methylbut-1-enyl]-2,3-dihydro-1,3-thiazole (PubChem CID 143124042) has the molecular formula C9H15NS and a molecular weight of 169.29 g/mol. Its IUPAC name is 2-methyl-4-[(E)-2-methylbut-1-enyl]-2,3-dihydro-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-4-[(E)-2-methylbut-1-enyl]-2,3-dihydro-1,3-thiazole
PubChem CID143124042
Molecular FormulaC9H15NS
Molecular Weight169.29 g/mol
Exact Mass169.09
IUPAC Name2-methyl-4-[(E)-2-methylbut-1-enyl]-2,3-dihydro-1,3-thiazole
SMILESCC/C(C)=C/C1=CSC(C)N1
InChIInChI=1S/C9H15NS/c1-4-7(2)5-9-6-11-8(3)10-9/h5-6,8,10H,4H2,1-3H3/b7-5+
InChIKeyNNFJPRNTNFQWNB-FNORWQNLSA-N
XLogP2.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.29
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-4-[(1E,3S,5Z)-2,3,6-trimethylocta-1,5-dienyl]-2,3-dihydro-1,3-thiazole
CID 59084386
5-Methyl-6-propylsulfanyl-1,2-dihydropyridine
CID 67590887
(3E,5E)-3,6-dimethyl-N-(2-methylsulfanylpropyl)octa-3,5-dien-2-amine
CID 89291986
(2S)-3-methylidene-2-(2-methylsulfanylethyl)-5-propyl-1,2-dihydropyrrole
CID 118401251
(2E,4Z)-N-methyl-6-(methylsulfanylmethyl)hepta-2,4,6-trien-3-amine
CID 134516437
4-Ethylsulfanyl-5-methyl-6-(2-methylprop-1-enyl)-1,2-dihydropyridine
CID 138614558
(4E)-4-[(Z)-3-methylhex-2-enylidene]-1,3-thiazolidine
CID 141971926
methyl-[(E)-4-methyl-5-(2-methyl-2,3-dihydro-1,3-thiazol-4-yl)pent-4-enylidene]-lambda3-iodane
CID 142019166
2-Methyl-4-(2-methylprop-1-enyl)-2,3-dihydro-1,3-thiazole
CID 143124040
5-[(Z)-but-1-enyl]-4-ethenyl-2-methyl-2,3-dihydro-1,3-thiazole
CID 143137406
ethane;(4E)-5-methylidene-4-(2-methylprop-2-enylidene)-1,3-thiazolidine
CID 143256493
(5E)-4-methylidene-5-(2-methylprop-2-enylidene)-1,3-thiazolidine
CID 143383131

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(E)-2-methylbut-1-enyl]-2,3-dihydro-1,3-thiazole?
The IUPAC name of 2-methyl-4-[(E)-2-methylbut-1-enyl]-2,3-dihydro-1,3-thiazole (CID 143124042) is 2-methyl-4-[(E)-2-methylbut-1-enyl]-2,3-dihydro-1,3-thiazole.
What is the SMILES notation for 2-methyl-4-[(E)-2-methylbut-1-enyl]-2,3-dihydro-1,3-thiazole?
The canonical SMILES for 2-methyl-4-[(E)-2-methylbut-1-enyl]-2,3-dihydro-1,3-thiazole is CC/C(C)=C/C1=CSC(C)N1.
What is the InChIKey of 2-methyl-4-[(E)-2-methylbut-1-enyl]-2,3-dihydro-1,3-thiazole?
The InChIKey is NNFJPRNTNFQWNB-FNORWQNLSA-N. The full InChI is InChI=1S/C9H15NS/c1-4-7(2)5-9-6-11-8(3)10-9/h5-6,8,10H,4H2,1-3H3/b7-5+.
What are the key properties of 2-methyl-4-[(E)-2-methylbut-1-enyl]-2,3-dihydro-1,3-thiazole?
2-methyl-4-[(E)-2-methylbut-1-enyl]-2,3-dihydro-1,3-thiazole has a molecular weight of 169.29 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(E)-2-methylbut-1-enyl]-2,3-dihydro-1,3-thiazole is sourced from PubChem (CID 143124042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).