4,5-bis(prop-1-en-2-yl)-1,3-thiazole;ethane

C11H17NS — CID 144533920

IUPAC4,5-bis(prop-1-en-2-yl)-1,3-thiazole;ethane
SMILESC=C(C)c1ncsc1C(=C)C.CC
InChIInChI=1S/C9H11NS.C2H6/c1-6(2)8-9(7(3)4)11-5-10-8;1-2/h5H,1,3H2,2,4H3;1-2H3
InChIKeyKGTROGQRFAYUOL-UHFFFAOYSA-N
MW195.33 g/mol
LogP4.24
Rot. Bonds2

About 4,5-bis(prop-1-en-2-yl)-1,3-thiazole;ethane

4,5-bis(prop-1-en-2-yl)-1,3-thiazole;ethane (PubChem CID 144533920) has the molecular formula C11H17NS and a molecular weight of 195.33 g/mol. Its IUPAC name is 4,5-bis(prop-1-en-2-yl)-1,3-thiazole;ethane.

Molecular Properties

Compound Name4,5-bis(prop-1-en-2-yl)-1,3-thiazole;ethane
PubChem CID144533920
Molecular FormulaC11H17NS
Molecular Weight195.33 g/mol
Exact Mass195.11
IUPAC Name4,5-bis(prop-1-en-2-yl)-1,3-thiazole;ethane
SMILESC=C(C)c1ncsc1C(=C)C.CC
InChIInChI=1S/C9H11NS.C2H6/c1-6(2)8-9(7(3)4)11-5-10-8;1-2/h5H,1,3H2,2,4H3;1-2H3
InChIKeyKGTROGQRFAYUOL-UHFFFAOYSA-N
XLogP4.24
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.33
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4,5-bis(prop-1-en-2-yl)-1,3-thiazole;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;4-(3-methylbut-1-en-2-yl)-5-prop-1-en-2-yl-1,3-thiazole
CID 144533382
2,3-bis(prop-1-en-2-yl)pyrazine
CID 143456731
4-methyl-1-(4-methyl-1,3-thiazol-5-yl)pent-4-en-1-one
CID 105129903
1-(4-chloro-1,3-thiazol-5-yl)ethanone
CID 117274660
4-methyl-5-[(3Z)-penta-1,3-dien-2-yl]-1,3-thiazole
CID 139497992
4-methoxycarbonyl-1,3-thiazole-5-carboxylic acid
CID 117214962
1-[5-(methylamino)-1,3-thiazol-4-yl]ethanone
CID 54522209
4-methyl-N-(2-methylprop-2-enyl)-1,3-thiazole-5-carboxamide
CID 114618761
N-ethenyl-1-(5-methyl-1,3-thiazol-4-yl)ethanimine
CID 144514945
5-N,5-N-dimethyl-1,3-thiazole-4,5-dicarboxamide
CID 140546289
3-prop-1-en-2-ylpyrazin-2-amine
CID 126961457
3-prop-1-en-2-yl-1,2,4-thiadiazole
CID 156515761

Frequently Asked Questions

What is the IUPAC name of 4,5-bis(prop-1-en-2-yl)-1,3-thiazole;ethane?
The IUPAC name of 4,5-bis(prop-1-en-2-yl)-1,3-thiazole;ethane (CID 144533920) is 4,5-bis(prop-1-en-2-yl)-1,3-thiazole;ethane.
What is the SMILES notation for 4,5-bis(prop-1-en-2-yl)-1,3-thiazole;ethane?
The canonical SMILES for 4,5-bis(prop-1-en-2-yl)-1,3-thiazole;ethane is C=C(C)c1ncsc1C(=C)C.CC.
What is the InChIKey of 4,5-bis(prop-1-en-2-yl)-1,3-thiazole;ethane?
The InChIKey is KGTROGQRFAYUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NS.C2H6/c1-6(2)8-9(7(3)4)11-5-10-8;1-2/h5H,1,3H2,2,4H3;1-2H3.
What are the key properties of 4,5-bis(prop-1-en-2-yl)-1,3-thiazole;ethane?
4,5-bis(prop-1-en-2-yl)-1,3-thiazole;ethane has a molecular weight of 195.33 g/mol, XLogP of 4.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(prop-1-en-2-yl)-1,3-thiazole;ethane is sourced from PubChem (CID 144533920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).