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

C8H17NS — CID 143942272

IUPACethane;2,4,5-trimethyl-2,3-dihydro-1,3-thiazole
SMILESCC.CC1=C(C)SC(C)N1
InChIInChI=1S/C6H11NS.C2H6/c1-4-5(2)8-6(3)7-4;1-2/h6-7H,1-3H3;1-2H3
InChIKeyUJMRCDXHNZOWQH-UHFFFAOYSA-N
MW159.30 g/mol
LogP2.95
Rot. Bonds

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

ethane;2,4,5-trimethyl-2,3-dihydro-1,3-thiazole (PubChem CID 143942272) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is ethane;2,4,5-trimethyl-2,3-dihydro-1,3-thiazole.

Molecular Properties

Compound Nameethane;2,4,5-trimethyl-2,3-dihydro-1,3-thiazole
PubChem CID143942272
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC Nameethane;2,4,5-trimethyl-2,3-dihydro-1,3-thiazole
SMILESCC.CC1=C(C)SC(C)N1
InChIInChI=1S/C6H11NS.C2H6/c1-4-5(2)8-6(3)7-4;1-2/h6-7H,1-3H3;1-2H3
InChIKeyUJMRCDXHNZOWQH-UHFFFAOYSA-N
XLogP2.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-Dimethyl-4-(trifluoromethyl)-2,3-dihydro-1,3-thiazole
CID 142181860
4,5-Dimethyl-2,3-dihydro-1,3-thiazole
CID 20573948
4,5-Dimethyl-2-propan-2-yl-2,3-dihydro-1,3-thiazole
CID 23384098
5,6-dimethyl-3,4-dihydro-2H-1,4-thiazine
CID 55287759
(2S)-4,5-dimethyl-2-propan-2-yl-2,3-dihydro-1,3-thiazole
CID 59954979
3-N,4-N-dipentyl-2,5-dihydrothiophene-3,4-diamine
CID 68139884
2,4,5-Trimethyl-2,3-dihydro-1,3-thiazole
CID 85816307
(2,5-Dimethyl-2,3-dihydro-1,3-thiazol-4-yl)methanamine
CID 134448063
(Z)-2-(aminomethylsulfanyl)-1-N-propylbut-2-ene-1,3-diamine
CID 142914657
4,5-Bis(ethenyl)-2-methyl-2,3-dihydro-1,3-thiazole;ethane
CID 143321442
5,6-dimethyl-3,4-dihydro-2H-1,4-thiazine;heptane
CID 143716624
(Z)-N-ethyl-3-ethylsulfanylbut-2-en-2-amine
CID 144404590

Frequently Asked Questions

What is the IUPAC name of ethane;2,4,5-trimethyl-2,3-dihydro-1,3-thiazole?
The IUPAC name of ethane;2,4,5-trimethyl-2,3-dihydro-1,3-thiazole (CID 143942272) is ethane;2,4,5-trimethyl-2,3-dihydro-1,3-thiazole.
What is the SMILES notation for ethane;2,4,5-trimethyl-2,3-dihydro-1,3-thiazole?
The canonical SMILES for ethane;2,4,5-trimethyl-2,3-dihydro-1,3-thiazole is CC.CC1=C(C)SC(C)N1.
What is the InChIKey of ethane;2,4,5-trimethyl-2,3-dihydro-1,3-thiazole?
The InChIKey is UJMRCDXHNZOWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NS.C2H6/c1-4-5(2)8-6(3)7-4;1-2/h6-7H,1-3H3;1-2H3.
What are the key properties of ethane;2,4,5-trimethyl-2,3-dihydro-1,3-thiazole?
ethane;2,4,5-trimethyl-2,3-dihydro-1,3-thiazole has a molecular weight of 159.30 g/mol, XLogP of 2.95, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2,4,5-trimethyl-2,3-dihydro-1,3-thiazole is sourced from PubChem (CID 143942272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).