ethane;4-[(2Z)-2-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]ethyl]-2,5-dimethyl-2,3-dihydro-1,3-thiazole

C17H25NS — CID 143039774

IUPACethane;4-[(2Z)-2-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]ethyl]-2,5-dimethyl-2,3-dihydro-1,3-thiazole
SMILESC/C=c1/cccc/c1=C/CC1=C(C)SC(C)N1.CC
InChIInChI=1S/C15H19NS.C2H6/c1-4-13-7-5-6-8-14(13)9-10-15-11(2)17-12(3)16-15;1-2/h4-9,12,16H,10H2,1-3H3;1-2H3/b13-4-,14-9-;
InChIKeyBUSCQQOWSIPUSO-FSLQQGEGSA-N
MW275.46 g/mol
LogP3.60
Rot. Bonds2

About ethane;4-[(2Z)-2-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]ethyl]-2,5-dimethyl-2,3-dihydro-1,3-thiazole

ethane;4-[(2Z)-2-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]ethyl]-2,5-dimethyl-2,3-dihydro-1,3-thiazole (PubChem CID 143039774) has the molecular formula C17H25NS and a molecular weight of 275.46 g/mol. Its IUPAC name is ethane;4-[(2Z)-2-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]ethyl]-2,5-dimethyl-2,3-dihydro-1,3-thiazole.

Molecular Properties

Compound Nameethane;4-[(2Z)-2-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]ethyl]-2,5-dimethyl-2,3-dihydro-1,3-thiazole
PubChem CID143039774
Molecular FormulaC17H25NS
Molecular Weight275.46 g/mol
Exact Mass275.17
IUPAC Nameethane;4-[(2Z)-2-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]ethyl]-2,5-dimethyl-2,3-dihydro-1,3-thiazole
SMILESC/C=c1/cccc/c1=C/CC1=C(C)SC(C)N1.CC
InChIInChI=1S/C15H19NS.C2H6/c1-4-13-7-5-6-8-14(13)9-10-15-11(2)17-12(3)16-15;1-2/h4-9,12,16H,10H2,1-3H3;1-2H3/b13-4-,14-9-;
InChIKeyBUSCQQOWSIPUSO-FSLQQGEGSA-N
XLogP3.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.46
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze ethane;4-[(2Z)-2-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]ethyl]-2,5-dimethyl-2,3-dihydro-1,3-thiazole with MolForge

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Launch Full Analysis

Related Compounds

(1S)-1-ethylsulfanyl-N-[[(4R)-4-fluorocyclohexa-1,5-dien-1-yl]methyl]ethanamine
CID 163458330
5-(3,5-Difluorocyclohexa-1,5-dien-1-yl)-2,4-dimethyl-2,3-dihydro-1,3-thiazole
CID 163782421
5-(5-Fluorocyclohexen-1-yl)-2,4-dimethyl-2,3-dihydro-1,3-thiazole
CID 163942857
(1Z)-N-methyl-8-thiatricyclo[10.4.0.02,7]hexadeca-1,3,5,11,13,15-hexaen-9-amine
CID 57106350
2-Methyl-2,3,6,7-tetrahydro-1,3-benzothiazole
CID 121486631
(3E)-N-[3-methyl-1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylbut-3-en-2-yl]hexa-1,3,5-trien-2-amine
CID 134568442
2,5-Dimethyl-2,3,4,5-tetrahydro-1,3-benzothiazole
CID 138569579
4-Ethylsulfanyl-5-methyl-6-(2-methylprop-1-enyl)-1,2-dihydropyridine
CID 138614558
7-Methyl-2,3,4,9a-tetrahydrocyclohepta[b][1,4]thiazine
CID 141812621
2-Methyl-2,3,4,5-tetrahydro-1,3-benzothiazole
CID 142249062
(2E,3Z)-3-butan-2-ylidene-2-[(Z)-but-2-enylidene]thiomorpholine
CID 142253686
5-[(Z)-but-1-enyl]-4-ethenyl-2-methyl-2,3-dihydro-1,3-thiazole
CID 143137406

Frequently Asked Questions

What is the IUPAC name of ethane;4-[(2Z)-2-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]ethyl]-2,5-dimethyl-2,3-dihydro-1,3-thiazole?
The IUPAC name of ethane;4-[(2Z)-2-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]ethyl]-2,5-dimethyl-2,3-dihydro-1,3-thiazole (CID 143039774) is ethane;4-[(2Z)-2-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]ethyl]-2,5-dimethyl-2,3-dihydro-1,3-thiazole.
What is the SMILES notation for ethane;4-[(2Z)-2-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]ethyl]-2,5-dimethyl-2,3-dihydro-1,3-thiazole?
The canonical SMILES for ethane;4-[(2Z)-2-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]ethyl]-2,5-dimethyl-2,3-dihydro-1,3-thiazole is C/C=c1/cccc/c1=C/CC1=C(C)SC(C)N1.CC.
What is the InChIKey of ethane;4-[(2Z)-2-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]ethyl]-2,5-dimethyl-2,3-dihydro-1,3-thiazole?
The InChIKey is BUSCQQOWSIPUSO-FSLQQGEGSA-N. The full InChI is InChI=1S/C15H19NS.C2H6/c1-4-13-7-5-6-8-14(13)9-10-15-11(2)17-12(3)16-15;1-2/h4-9,12,16H,10H2,1-3H3;1-2H3/b13-4-,14-9-;.
What are the key properties of ethane;4-[(2Z)-2-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]ethyl]-2,5-dimethyl-2,3-dihydro-1,3-thiazole?
ethane;4-[(2Z)-2-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]ethyl]-2,5-dimethyl-2,3-dihydro-1,3-thiazole has a molecular weight of 275.46 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-[(2Z)-2-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]ethyl]-2,5-dimethyl-2,3-dihydro-1,3-thiazole is sourced from PubChem (CID 143039774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).