2,5-bis(ethenyl)-4-[(Z)-prop-1-enyl]-1,3-thiazole

C10H11NS — CID 89177007

IUPAC2,5-bis(ethenyl)-4-[(Z)-prop-1-enyl]-1,3-thiazole
SMILESC=Cc1nc(/C=C\C)c(C=C)s1
InChIInChI=1S/C10H11NS/c1-4-7-8-9(5-2)12-10(6-3)11-8/h4-7H,2-3H2,1H3/b7-4-
InChIKeyXYCIFBYJWFAOMU-DAXSKMNVSA-N
MW177.27 g/mol
LogP3.46
Rot. Bonds3

About 2,5-bis(ethenyl)-4-[(Z)-prop-1-enyl]-1,3-thiazole

2,5-bis(ethenyl)-4-[(Z)-prop-1-enyl]-1,3-thiazole (PubChem CID 89177007) has the molecular formula C10H11NS and a molecular weight of 177.27 g/mol. Its IUPAC name is 2,5-bis(ethenyl)-4-[(Z)-prop-1-enyl]-1,3-thiazole.

Molecular Properties

Compound Name2,5-bis(ethenyl)-4-[(Z)-prop-1-enyl]-1,3-thiazole
PubChem CID89177007
Molecular FormulaC10H11NS
Molecular Weight177.27 g/mol
Exact Mass177.06
IUPAC Name2,5-bis(ethenyl)-4-[(Z)-prop-1-enyl]-1,3-thiazole
SMILESC=Cc1nc(/C=C\C)c(C=C)s1
InChIInChI=1S/C10H11NS/c1-4-7-8-9(5-2)12-10(6-3)11-8/h4-7H,2-3H2,1H3/b7-4-
InChIKeyXYCIFBYJWFAOMU-DAXSKMNVSA-N
XLogP3.46
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-Dimethyl-5-vinylthiazole
CID 5362563
2-(2-Bicyclo[2.2.0]hexa-1(4),2,5-trienyl)-4,5-dimethyl-1,3-thiazole
CID 56976761
5-Ethenyl-2-methyl-4-(trifluoromethyl)-1,3-thiazole
CID 91085377
4-But-2-en-2-yl-5-methyl-2-(trifluoromethyl)-1,3-thiazole
CID 123848288
5-(5-Fluorocyclohepta-1,4,6-trien-1-yl)-2,4-dimethyl-1,3-thiazole
CID 142201053
4-[(2E,4Z,6Z)-6-fluoronona-2,4,6-trien-3-yl]-2,5-dimethyl-1,3-thiazole
CID 142516310
2-(4-Fluorocyclohexa-2,4-dien-1-yl)-4,5-dimethyl-1,3-thiazole
CID 143199630
4-[(2E,4Z)-6-fluorohepta-2,4,6-trien-3-yl]-2,5-dimethyl-1,3-thiazole
CID 145509630
4,5-dimethyl-2-[(2E,4E)-5-(trifluoromethyl)hepta-2,4-dien-2-yl]-1,3-thiazole
CID 155216926
4,5-dimethyl-2-[(2E,4Z)-6-(trifluoromethyl)hepta-2,4,6-trien-3-yl]-1,3-thiazole
CID 155216927
4-[(1Z)-3-fluorobuta-1,3-dienyl]-2-iodo-5-methyl-1,3-thiazole
CID 163757497
5-Ethenyl-4-(1-fluoroethenyl)-2-propan-2-yl-1,3-thiazole
CID 166156524

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(ethenyl)-4-[(Z)-prop-1-enyl]-1,3-thiazole?
The IUPAC name of 2,5-bis(ethenyl)-4-[(Z)-prop-1-enyl]-1,3-thiazole (CID 89177007) is 2,5-bis(ethenyl)-4-[(Z)-prop-1-enyl]-1,3-thiazole.
What is the SMILES notation for 2,5-bis(ethenyl)-4-[(Z)-prop-1-enyl]-1,3-thiazole?
The canonical SMILES for 2,5-bis(ethenyl)-4-[(Z)-prop-1-enyl]-1,3-thiazole is C=Cc1nc(/C=C\C)c(C=C)s1.
What is the InChIKey of 2,5-bis(ethenyl)-4-[(Z)-prop-1-enyl]-1,3-thiazole?
The InChIKey is XYCIFBYJWFAOMU-DAXSKMNVSA-N. The full InChI is InChI=1S/C10H11NS/c1-4-7-8-9(5-2)12-10(6-3)11-8/h4-7H,2-3H2,1H3/b7-4-.
What are the key properties of 2,5-bis(ethenyl)-4-[(Z)-prop-1-enyl]-1,3-thiazole?
2,5-bis(ethenyl)-4-[(Z)-prop-1-enyl]-1,3-thiazole has a molecular weight of 177.27 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(ethenyl)-4-[(Z)-prop-1-enyl]-1,3-thiazole is sourced from PubChem (CID 89177007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).