ethane;5-ethyl-4-[(1Z)-2-methylbuta-1,3-dienyl]-1,3-thiazole

C12H19NS — CID 164562053

IUPACethane;5-ethyl-4-[(1Z)-2-methylbuta-1,3-dienyl]-1,3-thiazole
SMILESC=C/C(C)=C\c1ncsc1CC.CC
InChIInChI=1S/C10H13NS.C2H6/c1-4-8(3)6-9-10(5-2)12-7-11-9;1-2/h4,6-7H,1,5H2,2-3H3;1-2H3/b8-6-;
InChIKeyHBDWVOCRXMNVKN-PHZXCRFESA-N
MW209.36 g/mol
LogP4.32
Rot. Bonds3

About ethane;5-ethyl-4-[(1Z)-2-methylbuta-1,3-dienyl]-1,3-thiazole

ethane;5-ethyl-4-[(1Z)-2-methylbuta-1,3-dienyl]-1,3-thiazole (PubChem CID 164562053) has the molecular formula C12H19NS and a molecular weight of 209.36 g/mol. Its IUPAC name is ethane;5-ethyl-4-[(1Z)-2-methylbuta-1,3-dienyl]-1,3-thiazole.

Molecular Properties

Compound Nameethane;5-ethyl-4-[(1Z)-2-methylbuta-1,3-dienyl]-1,3-thiazole
PubChem CID164562053
Molecular FormulaC12H19NS
Molecular Weight209.36 g/mol
Exact Mass209.12
IUPAC Nameethane;5-ethyl-4-[(1Z)-2-methylbuta-1,3-dienyl]-1,3-thiazole
SMILESC=C/C(C)=C\c1ncsc1CC.CC
InChIInChI=1S/C10H13NS.C2H6/c1-4-8(3)6-9-10(5-2)12-7-11-9;1-2/h4,6-7H,1,5H2,2-3H3;1-2H3/b8-6-;
InChIKeyHBDWVOCRXMNVKN-PHZXCRFESA-N
XLogP4.32
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.36
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

4-ethyl-5-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]-1,3-thiazole
CID 166866048
(E)-1-(4-ethenyl-1,3-thiazol-5-yl)prop-1-ene-2-thiol
CID 129305603
1-(5-ethyl-1,3-thiazol-4-yl)-2,2-dimethylpropan-1-one
CID 59266617
ethane;(3Z)-3-methylpenta-1,3-diene;propane
CID 143719744
5-[(1Z)-buta-1,3-dienyl]-4-ethenyl-1,3-thiazole;ethane;propane
CID 170620892
4-methyl-5-[(1Z)-2-methylbuta-1,3-dienyl]-1,3-oxazole
CID 162433199
N-[(4-methyl-1,3-thiazol-5-yl)methyl]but-3-en-2-amine
CID 115691099
4-ethenyl-N-methyl-N-prop-2-enyl-1,3-thiazol-5-amine
CID 15325070
2-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]prop-2-en-1-amine
CID 114616804
4-[(1Z)-2-methylbuta-1,3-dienyl]pyridin-2-amine
CID 138980431
3,5-dimethyl-2-[(1Z)-2-methylbuta-1,3-dienyl]thiophene
CID 142079801
3-[(1Z)-2-methylbuta-1,3-dienyl]pyridine
CID 45079882

Frequently Asked Questions

What is the IUPAC name of ethane;5-ethyl-4-[(1Z)-2-methylbuta-1,3-dienyl]-1,3-thiazole?
The IUPAC name of ethane;5-ethyl-4-[(1Z)-2-methylbuta-1,3-dienyl]-1,3-thiazole (CID 164562053) is ethane;5-ethyl-4-[(1Z)-2-methylbuta-1,3-dienyl]-1,3-thiazole.
What is the SMILES notation for ethane;5-ethyl-4-[(1Z)-2-methylbuta-1,3-dienyl]-1,3-thiazole?
The canonical SMILES for ethane;5-ethyl-4-[(1Z)-2-methylbuta-1,3-dienyl]-1,3-thiazole is C=C/C(C)=C\c1ncsc1CC.CC.
What is the InChIKey of ethane;5-ethyl-4-[(1Z)-2-methylbuta-1,3-dienyl]-1,3-thiazole?
The InChIKey is HBDWVOCRXMNVKN-PHZXCRFESA-N. The full InChI is InChI=1S/C10H13NS.C2H6/c1-4-8(3)6-9-10(5-2)12-7-11-9;1-2/h4,6-7H,1,5H2,2-3H3;1-2H3/b8-6-;.
What are the key properties of ethane;5-ethyl-4-[(1Z)-2-methylbuta-1,3-dienyl]-1,3-thiazole?
ethane;5-ethyl-4-[(1Z)-2-methylbuta-1,3-dienyl]-1,3-thiazole has a molecular weight of 209.36 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-ethyl-4-[(1Z)-2-methylbuta-1,3-dienyl]-1,3-thiazole is sourced from PubChem (CID 164562053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).