(4E,5E)-2-propan-2-yl-4,5-bis(prop-2-enylidene)-1,3-thiazole

C12H15NS — CID 176972183

IUPAC(4E,5E)-2-propan-2-yl-4,5-bis(prop-2-enylidene)-1,3-thiazole
SMILESC=C/C=c1/nc(C(C)C)s/c1=C/C=C
InChIInChI=1S/C12H15NS/c1-5-7-10-11(8-6-2)14-12(13-10)9(3)4/h5-9H,1-2H2,3-4H3/b10-7+,11-8+
InChIKeyAQVYRBDHSPDUIH-AMMQDNIMSA-N
MW205.33 g/mol
LogP2.20
Rot. Bonds3

About (4E,5E)-2-propan-2-yl-4,5-bis(prop-2-enylidene)-1,3-thiazole

(4E,5E)-2-propan-2-yl-4,5-bis(prop-2-enylidene)-1,3-thiazole (PubChem CID 176972183) has the molecular formula C12H15NS and a molecular weight of 205.33 g/mol. Its IUPAC name is (4E,5E)-2-propan-2-yl-4,5-bis(prop-2-enylidene)-1,3-thiazole.

Molecular Properties

Compound Name(4E,5E)-2-propan-2-yl-4,5-bis(prop-2-enylidene)-1,3-thiazole
PubChem CID176972183
Molecular FormulaC12H15NS
Molecular Weight205.33 g/mol
Exact Mass205.09
IUPAC Name(4E,5E)-2-propan-2-yl-4,5-bis(prop-2-enylidene)-1,3-thiazole
SMILESC=C/C=c1/nc(C(C)C)s/c1=C/C=C
InChIInChI=1S/C12H15NS/c1-5-7-10-11(8-6-2)14-12(13-10)9(3)4/h5-9H,1-2H2,3-4H3/b10-7+,11-8+
InChIKeyAQVYRBDHSPDUIH-AMMQDNIMSA-N
XLogP2.20
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.33
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4E,5E)-2-propan-2-yl-4,5-bis(prop-2-enylidene)-1,3-thiazole?
The IUPAC name of (4E,5E)-2-propan-2-yl-4,5-bis(prop-2-enylidene)-1,3-thiazole (CID 176972183) is (4E,5E)-2-propan-2-yl-4,5-bis(prop-2-enylidene)-1,3-thiazole.
What is the SMILES notation for (4E,5E)-2-propan-2-yl-4,5-bis(prop-2-enylidene)-1,3-thiazole?
The canonical SMILES for (4E,5E)-2-propan-2-yl-4,5-bis(prop-2-enylidene)-1,3-thiazole is C=C/C=c1/nc(C(C)C)s/c1=C/C=C.
What is the InChIKey of (4E,5E)-2-propan-2-yl-4,5-bis(prop-2-enylidene)-1,3-thiazole?
The InChIKey is AQVYRBDHSPDUIH-AMMQDNIMSA-N. The full InChI is InChI=1S/C12H15NS/c1-5-7-10-11(8-6-2)14-12(13-10)9(3)4/h5-9H,1-2H2,3-4H3/b10-7+,11-8+.
What are the key properties of (4E,5E)-2-propan-2-yl-4,5-bis(prop-2-enylidene)-1,3-thiazole?
(4E,5E)-2-propan-2-yl-4,5-bis(prop-2-enylidene)-1,3-thiazole has a molecular weight of 205.33 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5E)-2-propan-2-yl-4,5-bis(prop-2-enylidene)-1,3-thiazole is sourced from PubChem (CID 176972183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).