(2-phenyl-1,3-thiazol-4-yl)methyl thiophene-2-carboxylate

C15H11NO2S2 — CID 2115030

IUPAC(2-phenyl-1,3-thiazol-4-yl)methyl thiophene-2-carboxylate
SMILESO=C(OCc1csc(-c2ccccc2)n1)c1cccs1
InChIInChI=1S/C15H11NO2S2/c17-15(13-7-4-8-19-13)18-9-12-10-20-14(16-12)11-5-2-1-3-6-11/h1-8,10H,9H2
InChIKeyVSNDBKLNDMGCTD-UHFFFAOYSA-N
MW301.39 g/mol
LogP4.23
Rot. Bonds4

About (2-phenyl-1,3-thiazol-4-yl)methyl thiophene-2-carboxylate

(2-phenyl-1,3-thiazol-4-yl)methyl thiophene-2-carboxylate (PubChem CID 2115030) has the molecular formula C15H11NO2S2 and a molecular weight of 301.39 g/mol. Its IUPAC name is (2-phenyl-1,3-thiazol-4-yl)methyl thiophene-2-carboxylate.

Molecular Properties

Compound Name(2-phenyl-1,3-thiazol-4-yl)methyl thiophene-2-carboxylate
PubChem CID2115030
Molecular FormulaC15H11NO2S2
Molecular Weight301.39 g/mol
Exact Mass301.02
IUPAC Name(2-phenyl-1,3-thiazol-4-yl)methyl thiophene-2-carboxylate
SMILESO=C(OCc1csc(-c2ccccc2)n1)c1cccs1
InChIInChI=1S/C15H11NO2S2/c17-15(13-7-4-8-19-13)18-9-12-10-20-14(16-12)11-5-2-1-3-6-11/h1-8,10H,9H2
InChIKeyVSNDBKLNDMGCTD-UHFFFAOYSA-N
XLogP4.23
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-phenyl-1,3-thiazol-4-yl)methyl thiophene-2-carboxylate?
The IUPAC name of (2-phenyl-1,3-thiazol-4-yl)methyl thiophene-2-carboxylate (CID 2115030) is (2-phenyl-1,3-thiazol-4-yl)methyl thiophene-2-carboxylate.
What is the SMILES notation for (2-phenyl-1,3-thiazol-4-yl)methyl thiophene-2-carboxylate?
The canonical SMILES for (2-phenyl-1,3-thiazol-4-yl)methyl thiophene-2-carboxylate is O=C(OCc1csc(-c2ccccc2)n1)c1cccs1.
What is the InChIKey of (2-phenyl-1,3-thiazol-4-yl)methyl thiophene-2-carboxylate?
The InChIKey is VSNDBKLNDMGCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO2S2/c17-15(13-7-4-8-19-13)18-9-12-10-20-14(16-12)11-5-2-1-3-6-11/h1-8,10H,9H2.
What are the key properties of (2-phenyl-1,3-thiazol-4-yl)methyl thiophene-2-carboxylate?
(2-phenyl-1,3-thiazol-4-yl)methyl thiophene-2-carboxylate has a molecular weight of 301.39 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenyl-1,3-thiazol-4-yl)methyl thiophene-2-carboxylate is sourced from PubChem (CID 2115030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).