ethane;4-ethenyl-2-methylidene-5-[(Z)-prop-1-enyl]-3H-1,3-thiazole

C11H17NS — CID 142074110

IUPACethane;4-ethenyl-2-methylidene-5-[(Z)-prop-1-enyl]-3H-1,3-thiazole
SMILESC=CC1=C(/C=C\C)SC(=C)N1.CC
InChIInChI=1S/C9H11NS.C2H6/c1-4-6-9-8(5-2)10-7(3)11-9;1-2/h4-6,10H,2-3H2,1H3;1-2H3/b6-4-;
InChIKeyGERRYJAQVPDOEZ-YHSAGPEESA-N
MW195.33 g/mol
LogP3.79
Rot. Bonds2

About ethane;4-ethenyl-2-methylidene-5-[(Z)-prop-1-enyl]-3H-1,3-thiazole

ethane;4-ethenyl-2-methylidene-5-[(Z)-prop-1-enyl]-3H-1,3-thiazole (PubChem CID 142074110) has the molecular formula C11H17NS and a molecular weight of 195.33 g/mol. Its IUPAC name is ethane;4-ethenyl-2-methylidene-5-[(Z)-prop-1-enyl]-3H-1,3-thiazole.

Molecular Properties

Compound Nameethane;4-ethenyl-2-methylidene-5-[(Z)-prop-1-enyl]-3H-1,3-thiazole
PubChem CID142074110
Molecular FormulaC11H17NS
Molecular Weight195.33 g/mol
Exact Mass195.11
IUPAC Nameethane;4-ethenyl-2-methylidene-5-[(Z)-prop-1-enyl]-3H-1,3-thiazole
SMILESC=CC1=C(/C=C\C)SC(=C)N1.CC
InChIInChI=1S/C9H11NS.C2H6/c1-4-6-9-8(5-2)10-7(3)11-9;1-2/h4-6,10H,2-3H2,1H3;1-2H3/b6-4-;
InChIKeyGERRYJAQVPDOEZ-YHSAGPEESA-N
XLogP3.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.33
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;4-ethenyl-2-methylidene-5-[(Z)-prop-1-enyl]-3H-1,3-thiazole?
The IUPAC name of ethane;4-ethenyl-2-methylidene-5-[(Z)-prop-1-enyl]-3H-1,3-thiazole (CID 142074110) is ethane;4-ethenyl-2-methylidene-5-[(Z)-prop-1-enyl]-3H-1,3-thiazole.
What is the SMILES notation for ethane;4-ethenyl-2-methylidene-5-[(Z)-prop-1-enyl]-3H-1,3-thiazole?
The canonical SMILES for ethane;4-ethenyl-2-methylidene-5-[(Z)-prop-1-enyl]-3H-1,3-thiazole is C=CC1=C(/C=C\C)SC(=C)N1.CC.
What is the InChIKey of ethane;4-ethenyl-2-methylidene-5-[(Z)-prop-1-enyl]-3H-1,3-thiazole?
The InChIKey is GERRYJAQVPDOEZ-YHSAGPEESA-N. The full InChI is InChI=1S/C9H11NS.C2H6/c1-4-6-9-8(5-2)10-7(3)11-9;1-2/h4-6,10H,2-3H2,1H3;1-2H3/b6-4-;.
What are the key properties of ethane;4-ethenyl-2-methylidene-5-[(Z)-prop-1-enyl]-3H-1,3-thiazole?
ethane;4-ethenyl-2-methylidene-5-[(Z)-prop-1-enyl]-3H-1,3-thiazole has a molecular weight of 195.33 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-ethenyl-2-methylidene-5-[(Z)-prop-1-enyl]-3H-1,3-thiazole is sourced from PubChem (CID 142074110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).