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

C7H15NS — CID 144657521

IUPAC4,5-dimethyl-2,3-dihydro-1,3-thiazole;ethane
SMILESCC.CC1=C(C)SCN1
InChIInChI=1S/C5H9NS.C2H6/c1-4-5(2)7-3-6-4;1-2/h6H,3H2,1-2H3;1-2H3
InChIKeyBPDQKJDAPQCDMM-UHFFFAOYSA-N
MW145.27 g/mol
LogP2.56
Rot. Bonds

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

4,5-dimethyl-2,3-dihydro-1,3-thiazole;ethane (PubChem CID 144657521) has the molecular formula C7H15NS and a molecular weight of 145.27 g/mol. Its IUPAC name is 4,5-dimethyl-2,3-dihydro-1,3-thiazole;ethane.

Molecular Properties

Compound Name4,5-dimethyl-2,3-dihydro-1,3-thiazole;ethane
PubChem CID144657521
Molecular FormulaC7H15NS
Molecular Weight145.27 g/mol
Exact Mass145.09
IUPAC Name4,5-dimethyl-2,3-dihydro-1,3-thiazole;ethane
SMILESCC.CC1=C(C)SCN1
InChIInChI=1S/C5H9NS.C2H6/c1-4-5(2)7-3-6-4;1-2/h6H,3H2,1-2H3;1-2H3
InChIKeyBPDQKJDAPQCDMM-UHFFFAOYSA-N
XLogP2.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.27
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,5-Dimethyl-2,3-dihydro-1,3-thiazole
CID 20573948
2,4,5-Trimethyl-2,3-dihydro-1,3-thiazole
CID 85816307
(Z)-3-[1-(methylamino)ethenylsulfanyl]but-2-en-2-amine
CID 89101087
2-Iodo-4,5-dimethyl-2,3-dihydro-1,3-thiazole
CID 122579521
(E)-1-N,2-N-dimethyl-1-methylsulfanylprop-1-ene-1,2-diamine
CID 130317060
(E)-2-N-methyl-1-methylsulfanylprop-1-ene-1,2-diamine
CID 130317061
(Z)-N-methyl-3-methylsulfanylbut-2-en-2-amine
CID 139501226
[(Z)-3-(methylamino)but-2-en-2-yl] methanedithioate
CID 143899610
Ethane;2,4,5-trimethyl-2,3-dihydro-1,3-thiazole
CID 143942272
5-Ethenyl-4-methyl-2,3-dihydro-1,3-thiazole
CID 144275917
4-Ethyl-5-methyl-2,3-dihydro-1,3-thiazole
CID 145643013
3-methyl-N-(methylsulfanylmethyl)but-2-en-2-amine
CID 146392783

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2,3-dihydro-1,3-thiazole;ethane?
The IUPAC name of 4,5-dimethyl-2,3-dihydro-1,3-thiazole;ethane (CID 144657521) is 4,5-dimethyl-2,3-dihydro-1,3-thiazole;ethane.
What is the SMILES notation for 4,5-dimethyl-2,3-dihydro-1,3-thiazole;ethane?
The canonical SMILES for 4,5-dimethyl-2,3-dihydro-1,3-thiazole;ethane is CC.CC1=C(C)SCN1.
What is the InChIKey of 4,5-dimethyl-2,3-dihydro-1,3-thiazole;ethane?
The InChIKey is BPDQKJDAPQCDMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NS.C2H6/c1-4-5(2)7-3-6-4;1-2/h6H,3H2,1-2H3;1-2H3.
What are the key properties of 4,5-dimethyl-2,3-dihydro-1,3-thiazole;ethane?
4,5-dimethyl-2,3-dihydro-1,3-thiazole;ethane has a molecular weight of 145.27 g/mol, XLogP of 2.56, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2,3-dihydro-1,3-thiazole;ethane is sourced from PubChem (CID 144657521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).