(E)-1-(4-ethenyl-1,3-thiazol-5-yl)prop-1-ene-2-thiol

C8H9NS2 — CID 129305603

IUPAC(E)-1-(4-ethenyl-1,3-thiazol-5-yl)prop-1-ene-2-thiol
SMILESC=Cc1ncsc1/C=C(\C)S
InChIInChI=1S/C8H9NS2/c1-3-7-8(4-6(2)10)11-5-9-7/h3-5,10H,1H2,2H3/b6-4+
InChIKeyIFWWABGKPHHLDJ-GQCTYLIASA-N
MW183.30 g/mol
LogP3.08
Rot. Bonds2

About (E)-1-(4-ethenyl-1,3-thiazol-5-yl)prop-1-ene-2-thiol

(E)-1-(4-ethenyl-1,3-thiazol-5-yl)prop-1-ene-2-thiol (PubChem CID 129305603) has the molecular formula C8H9NS2 and a molecular weight of 183.30 g/mol. Its IUPAC name is (E)-1-(4-ethenyl-1,3-thiazol-5-yl)prop-1-ene-2-thiol.

Molecular Properties

Compound Name(E)-1-(4-ethenyl-1,3-thiazol-5-yl)prop-1-ene-2-thiol
PubChem CID129305603
Molecular FormulaC8H9NS2
Molecular Weight183.30 g/mol
Exact Mass183.02
IUPAC Name(E)-1-(4-ethenyl-1,3-thiazol-5-yl)prop-1-ene-2-thiol
SMILESC=Cc1ncsc1/C=C(\C)S
InChIInChI=1S/C8H9NS2/c1-3-7-8(4-6(2)10)11-5-9-7/h3-5,10H,1H2,2H3/b6-4+
InChIKeyIFWWABGKPHHLDJ-GQCTYLIASA-N
XLogP3.08
TPSA12.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

5-[(1Z)-buta-1,3-dienyl]-4-ethenyl-1,3-thiazole;ethane;propane
CID 170620892
ethane;5-ethyl-4-[(1Z)-2-methylbuta-1,3-dienyl]-1,3-thiazole
CID 164562053
4-ethenyl-N-methyl-N-prop-2-enyl-1,3-thiazol-5-amine
CID 15325070
4-ethyl-5-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]-1,3-thiazole
CID 166866048
5-ethylidene-4-propan-2-ylidene-1,3-thiazole
CID 91081809
N-ethenyl-1-(5-methyl-1,3-thiazol-4-yl)ethanimine
CID 144514945
ethyl 2-methyl-3-(4-methyl-1,3-thiazol-5-yl)prop-2-enoate
CID 104503690
4,5-bis(ethenyl)-2-[3-methyl-4-(2-methylprop-1-enyl)phenyl]-1,3-thiazole
CID 143444862
[(E)-2-(4-methyl-1,3-thiazol-5-yl)ethenyl] acetate
CID 55265797
2-[(4-ethenyl-1,3-thiazol-5-yl)methylsulfanyl]-3-methyl-6-(trifluoromethyl)-4H-pyrimidin-4-ol
CID 90696963
4,5-bis(prop-1-en-2-yl)-1,3-thiazole;ethane
CID 144533920
4-[(Z)-3,3-dimethylbut-1-enyl]-5-methyl-1,3-thiazole
CID 142272163

Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-ethenyl-1,3-thiazol-5-yl)prop-1-ene-2-thiol?
The IUPAC name of (E)-1-(4-ethenyl-1,3-thiazol-5-yl)prop-1-ene-2-thiol (CID 129305603) is (E)-1-(4-ethenyl-1,3-thiazol-5-yl)prop-1-ene-2-thiol.
What is the SMILES notation for (E)-1-(4-ethenyl-1,3-thiazol-5-yl)prop-1-ene-2-thiol?
The canonical SMILES for (E)-1-(4-ethenyl-1,3-thiazol-5-yl)prop-1-ene-2-thiol is C=Cc1ncsc1/C=C(\C)S.
What is the InChIKey of (E)-1-(4-ethenyl-1,3-thiazol-5-yl)prop-1-ene-2-thiol?
The InChIKey is IFWWABGKPHHLDJ-GQCTYLIASA-N. The full InChI is InChI=1S/C8H9NS2/c1-3-7-8(4-6(2)10)11-5-9-7/h3-5,10H,1H2,2H3/b6-4+.
What are the key properties of (E)-1-(4-ethenyl-1,3-thiazol-5-yl)prop-1-ene-2-thiol?
(E)-1-(4-ethenyl-1,3-thiazol-5-yl)prop-1-ene-2-thiol has a molecular weight of 183.30 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-ethenyl-1,3-thiazol-5-yl)prop-1-ene-2-thiol is sourced from PubChem (CID 129305603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).