2-ethenyl-5-[3-(4-propan-2-yl-1,3-thiazol-2-yl)prop-2-enyl]-1,3-thiazole

C14H16N2S2 — CID 123781756

IUPAC2-ethenyl-5-[3-(4-propan-2-yl-1,3-thiazol-2-yl)prop-2-enyl]-1,3-thiazole
SMILESC=Cc1ncc(CC=Cc2nc(C(C)C)cs2)s1
InChIInChI=1S/C14H16N2S2/c1-4-13-15-8-11(18-13)6-5-7-14-16-12(9-17-14)10(2)3/h4-5,7-10H,1,6H2,2-3H3
InChIKeyMRWFYRZPLIVDHT-UHFFFAOYSA-N
MW276.43 g/mol
LogP4.62
Rot. Bonds5

About 2-ethenyl-5-[3-(4-propan-2-yl-1,3-thiazol-2-yl)prop-2-enyl]-1,3-thiazole

2-ethenyl-5-[3-(4-propan-2-yl-1,3-thiazol-2-yl)prop-2-enyl]-1,3-thiazole (PubChem CID 123781756) has the molecular formula C14H16N2S2 and a molecular weight of 276.43 g/mol. Its IUPAC name is 2-ethenyl-5-[3-(4-propan-2-yl-1,3-thiazol-2-yl)prop-2-enyl]-1,3-thiazole.

Molecular Properties

Compound Name2-ethenyl-5-[3-(4-propan-2-yl-1,3-thiazol-2-yl)prop-2-enyl]-1,3-thiazole
PubChem CID123781756
Molecular FormulaC14H16N2S2
Molecular Weight276.43 g/mol
Exact Mass276.08
IUPAC Name2-ethenyl-5-[3-(4-propan-2-yl-1,3-thiazol-2-yl)prop-2-enyl]-1,3-thiazole
SMILESC=Cc1ncc(CC=Cc2nc(C(C)C)cs2)s1
InChIInChI=1S/C14H16N2S2/c1-4-13-15-8-11(18-13)6-5-7-14-16-12(9-17-14)10(2)3/h4-5,7-10H,1,6H2,2-3H3
InChIKeyMRWFYRZPLIVDHT-UHFFFAOYSA-N
XLogP4.62
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-5-[3-(4-propan-2-yl-1,3-thiazol-2-yl)prop-2-enyl]-1,3-thiazole?
The IUPAC name of 2-ethenyl-5-[3-(4-propan-2-yl-1,3-thiazol-2-yl)prop-2-enyl]-1,3-thiazole (CID 123781756) is 2-ethenyl-5-[3-(4-propan-2-yl-1,3-thiazol-2-yl)prop-2-enyl]-1,3-thiazole.
What is the SMILES notation for 2-ethenyl-5-[3-(4-propan-2-yl-1,3-thiazol-2-yl)prop-2-enyl]-1,3-thiazole?
The canonical SMILES for 2-ethenyl-5-[3-(4-propan-2-yl-1,3-thiazol-2-yl)prop-2-enyl]-1,3-thiazole is C=Cc1ncc(CC=Cc2nc(C(C)C)cs2)s1.
What is the InChIKey of 2-ethenyl-5-[3-(4-propan-2-yl-1,3-thiazol-2-yl)prop-2-enyl]-1,3-thiazole?
The InChIKey is MRWFYRZPLIVDHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2S2/c1-4-13-15-8-11(18-13)6-5-7-14-16-12(9-17-14)10(2)3/h4-5,7-10H,1,6H2,2-3H3.
What are the key properties of 2-ethenyl-5-[3-(4-propan-2-yl-1,3-thiazol-2-yl)prop-2-enyl]-1,3-thiazole?
2-ethenyl-5-[3-(4-propan-2-yl-1,3-thiazol-2-yl)prop-2-enyl]-1,3-thiazole has a molecular weight of 276.43 g/mol, XLogP of 4.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-5-[3-(4-propan-2-yl-1,3-thiazol-2-yl)prop-2-enyl]-1,3-thiazole is sourced from PubChem (CID 123781756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).