(5E)-4-ethyl-5-ethylidene-2-methyl-4H-1,3-thiazole

C8H13NS — CID 142274460

IUPAC(5E)-4-ethyl-5-ethylidene-2-methyl-4H-1,3-thiazole
SMILESC/C=C1/SC(C)=NC1CC
InChIInChI=1S/C8H13NS/c1-4-7-8(5-2)10-6(3)9-7/h5,7H,4H2,1-3H3/b8-5+
InChIKeyHMKGHBZQXVQPCS-VMPITWQZSA-N
MW155.27 g/mol
LogP2.83
Rot. Bonds1

About (5E)-4-ethyl-5-ethylidene-2-methyl-4H-1,3-thiazole

(5E)-4-ethyl-5-ethylidene-2-methyl-4H-1,3-thiazole (PubChem CID 142274460) has the molecular formula C8H13NS and a molecular weight of 155.27 g/mol. Its IUPAC name is (5E)-4-ethyl-5-ethylidene-2-methyl-4H-1,3-thiazole.

Molecular Properties

Compound Name(5E)-4-ethyl-5-ethylidene-2-methyl-4H-1,3-thiazole
PubChem CID142274460
Molecular FormulaC8H13NS
Molecular Weight155.27 g/mol
Exact Mass155.08
IUPAC Name(5E)-4-ethyl-5-ethylidene-2-methyl-4H-1,3-thiazole
SMILESC/C=C1/SC(C)=NC1CC
InChIInChI=1S/C8H13NS/c1-4-7-8(5-2)10-6(3)9-7/h5,7H,4H2,1-3H3/b8-5+
InChIKeyHMKGHBZQXVQPCS-VMPITWQZSA-N
XLogP2.83
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.27
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methyl-3a,7a-dihydro-1,3-benzothiazole
CID 18681653
2-Methyl-3a,4-dihydro-1,3-benzothiazole
CID 22064067
4-[(Z)-but-2-enyl]-2,4-dimethyl-5-methylidene-1,3-thiazole
CID 89319226
(5E)-5-[(Z)-but-2-enylidene]-2,4-dimethyl-4H-1,3-thiazole
CID 89319266
(3aR)-2-methyl-3a,4-dihydro-1,3-benzothiazole
CID 89367458
2,7a-dimethyl-3aH-1,3-benzothiazole
CID 118312068
4-[(Z)-but-1-enyl]-2-methyl-4,5-dihydro-1,3-thiazole
CID 121327428
6-Methyl-2-propyl-3a,4-dihydro-1,3-benzothiazole
CID 123140139
2,6-Dimethyl-3a,4-dihydro-1,3-benzothiazole
CID 123154980
2,4-dimethyl-5-(2-methylbut-2-enylidene)-4H-1,3-thiazole
CID 123540545
1,1,2,4-tetramethyl-6-[(Z)-3-methylhex-3-enyl]-4H-1,3-thiazine
CID 135265914
5-[(Z)-but-2-enyl]-2,4-dimethyl-4,5-dihydro-1,3-thiazole;ethane;ethene
CID 141771732

Frequently Asked Questions

What is the IUPAC name of (5E)-4-ethyl-5-ethylidene-2-methyl-4H-1,3-thiazole?
The IUPAC name of (5E)-4-ethyl-5-ethylidene-2-methyl-4H-1,3-thiazole (CID 142274460) is (5E)-4-ethyl-5-ethylidene-2-methyl-4H-1,3-thiazole.
What is the SMILES notation for (5E)-4-ethyl-5-ethylidene-2-methyl-4H-1,3-thiazole?
The canonical SMILES for (5E)-4-ethyl-5-ethylidene-2-methyl-4H-1,3-thiazole is C/C=C1/SC(C)=NC1CC.
What is the InChIKey of (5E)-4-ethyl-5-ethylidene-2-methyl-4H-1,3-thiazole?
The InChIKey is HMKGHBZQXVQPCS-VMPITWQZSA-N. The full InChI is InChI=1S/C8H13NS/c1-4-7-8(5-2)10-6(3)9-7/h5,7H,4H2,1-3H3/b8-5+.
What are the key properties of (5E)-4-ethyl-5-ethylidene-2-methyl-4H-1,3-thiazole?
(5E)-4-ethyl-5-ethylidene-2-methyl-4H-1,3-thiazole has a molecular weight of 155.27 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-4-ethyl-5-ethylidene-2-methyl-4H-1,3-thiazole is sourced from PubChem (CID 142274460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).