2-chloroprop-2-enyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate

C11H8ClNO2S2 — CID 55476103

IUPAC2-chloroprop-2-enyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate
SMILESC=C(Cl)COC(=O)c1csc(-c2ccsc2)n1
InChIInChI=1S/C11H8ClNO2S2/c1-7(12)4-15-11(14)9-6-17-10(13-9)8-2-3-16-5-8/h2-3,5-6H,1,4H2
InChIKeyQPJFDPRATSSGEK-UHFFFAOYSA-N
MW285.78 g/mol
LogP3.78
Rot. Bonds4

About 2-chloroprop-2-enyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate

2-chloroprop-2-enyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate (PubChem CID 55476103) has the molecular formula C11H8ClNO2S2 and a molecular weight of 285.78 g/mol. Its IUPAC name is 2-chloroprop-2-enyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Name2-chloroprop-2-enyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate
PubChem CID55476103
Molecular FormulaC11H8ClNO2S2
Molecular Weight285.78 g/mol
Exact Mass284.97
IUPAC Name2-chloroprop-2-enyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate
SMILESC=C(Cl)COC(=O)c1csc(-c2ccsc2)n1
InChIInChI=1S/C11H8ClNO2S2/c1-7(12)4-15-11(14)9-6-17-10(13-9)8-2-3-16-5-8/h2-3,5-6H,1,4H2
InChIKeyQPJFDPRATSSGEK-UHFFFAOYSA-N
XLogP3.78
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.78
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-oxopropyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate
CID 55426094
[2-(2-methylbutan-2-ylamino)-2-oxoethyl] 2-thiophen-3-yl-1,3-thiazole-4-carboxylate
CID 18122802
[2-(azocan-1-yl)-2-oxoethyl] 2-thiophen-3-yl-1,3-thiazole-4-carboxylate
CID 18122805
(3-chlorophenyl)methyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate
CID 46659444
1,3-benzothiazol-2-ylmethyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate
CID 40766094
[2-oxo-2-(propylcarbamoylamino)ethyl] 2-thiophen-3-yl-1,3-thiazole-4-carboxylate
CID 18122778
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate
CID 24522758
(2,3-difluorophenyl)methyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate
CID 17469662
[2-[methyl(1-phenylethyl)amino]-2-oxoethyl] 2-thiophen-3-yl-1,3-thiazole-4-carboxylate
CID 46544769
[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 2-thiophen-3-yl-1,3-thiazole-4-carboxylate
CID 46544768
N-ethyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 51229416
[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 2-thiophen-3-yl-1,3-thiazole-4-carboxylate
CID 24522768

Frequently Asked Questions

What is the IUPAC name of 2-chloroprop-2-enyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate?
The IUPAC name of 2-chloroprop-2-enyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate (CID 55476103) is 2-chloroprop-2-enyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for 2-chloroprop-2-enyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate?
The canonical SMILES for 2-chloroprop-2-enyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate is C=C(Cl)COC(=O)c1csc(-c2ccsc2)n1.
What is the InChIKey of 2-chloroprop-2-enyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate?
The InChIKey is QPJFDPRATSSGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNO2S2/c1-7(12)4-15-11(14)9-6-17-10(13-9)8-2-3-16-5-8/h2-3,5-6H,1,4H2.
What are the key properties of 2-chloroprop-2-enyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate?
2-chloroprop-2-enyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate has a molecular weight of 285.78 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroprop-2-enyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 55476103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).