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

C15H19NS — CID 143039775

IUPAC4-[(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
InChIInChI=1S/C15H19NS/c1-4-13-7-5-6-8-14(13)9-10-15-11(2)17-12(3)16-15/h4-9,12,16H,10H2,1-3H3/b13-4-,14-9-
InChIKeyHMSNJYVNBJFNKD-ICDBDPDESA-N
MW245.39 g/mol
LogP2.57
Rot. Bonds2

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

4-[(2Z)-2-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]ethyl]-2,5-dimethyl-2,3-dihydro-1,3-thiazole (PubChem CID 143039775) has the molecular formula C15H19NS and a molecular weight of 245.39 g/mol. Its IUPAC name is 4-[(2Z)-2-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]ethyl]-2,5-dimethyl-2,3-dihydro-1,3-thiazole.

Molecular Properties

Compound Name4-[(2Z)-2-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]ethyl]-2,5-dimethyl-2,3-dihydro-1,3-thiazole
PubChem CID143039775
Molecular FormulaC15H19NS
Molecular Weight245.39 g/mol
Exact Mass245.12
IUPAC Name4-[(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
InChIInChI=1S/C15H19NS/c1-4-13-7-5-6-8-14(13)9-10-15-11(2)17-12(3)16-15/h4-9,12,16H,10H2,1-3H3/b13-4-,14-9-
InChIKeyHMSNJYVNBJFNKD-ICDBDPDESA-N
XLogP2.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 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 4-[(2Z)-2-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]ethyl]-2,5-dimethyl-2,3-dihydro-1,3-thiazole (CID 143039775) is 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 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 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.
What is the InChIKey of 4-[(2Z)-2-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]ethyl]-2,5-dimethyl-2,3-dihydro-1,3-thiazole?
The InChIKey is HMSNJYVNBJFNKD-ICDBDPDESA-N. The full InChI is InChI=1S/C15H19NS/c1-4-13-7-5-6-8-14(13)9-10-15-11(2)17-12(3)16-15/h4-9,12,16H,10H2,1-3H3/b13-4-,14-9-.
What are the key properties of 4-[(2Z)-2-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]ethyl]-2,5-dimethyl-2,3-dihydro-1,3-thiazole?
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 245.39 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 143039775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).