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

C16H13NO2S2 — CID 2997521

IUPAC(2-phenyl-1,3-thiazol-4-yl)methyl 3-methylthiophene-2-carboxylate
SMILESCc1ccsc1C(=O)OCc1csc(-c2ccccc2)n1
InChIInChI=1S/C16H13NO2S2/c1-11-7-8-20-14(11)16(18)19-9-13-10-21-15(17-13)12-5-3-2-4-6-12/h2-8,10H,9H2,1H3
InChIKeyLZOCRTGDFVXVLX-UHFFFAOYSA-N
MW315.42 g/mol
LogP4.54
Rot. Bonds4

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

(2-phenyl-1,3-thiazol-4-yl)methyl 3-methylthiophene-2-carboxylate (PubChem CID 2997521) has the molecular formula C16H13NO2S2 and a molecular weight of 315.42 g/mol. Its IUPAC name is (2-phenyl-1,3-thiazol-4-yl)methyl 3-methylthiophene-2-carboxylate.

Molecular Properties

Compound Name(2-phenyl-1,3-thiazol-4-yl)methyl 3-methylthiophene-2-carboxylate
PubChem CID2997521
Molecular FormulaC16H13NO2S2
Molecular Weight315.42 g/mol
Exact Mass315.04
IUPAC Name(2-phenyl-1,3-thiazol-4-yl)methyl 3-methylthiophene-2-carboxylate
SMILESCc1ccsc1C(=O)OCc1csc(-c2ccccc2)n1
InChIInChI=1S/C16H13NO2S2/c1-11-7-8-20-14(11)16(18)19-9-13-10-21-15(17-13)12-5-3-2-4-6-12/h2-8,10H,9H2,1H3
InChIKeyLZOCRTGDFVXVLX-UHFFFAOYSA-N
XLogP4.54
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(4-Methylphenyl)-1,3-thiazol-2-yl]-5-methylsulfanylthiophene-2-carboxylic acid
CID 18537460
(2-Phenyl-1,3-thiazol-4-yl)methyl thiophene-2-carboxylate
CID 2115030
1,3-Benzothiazol-2-ylmethyl thiophene-2-carboxylate
CID 1243333
Ethyl 5-amino-4-cyano-3-[(4-phenyl-1,3-thiazol-2-yl)sulfanylmethyl]thiophene-2-carboxylate
CID 2553315
Benzyl 2-phenylthiazole-4-carboxylate
CID 8278199
Ethyl 2-phenyl-1,3-thiazole-4-carboxylate
CID 10036966
Methyl 3-[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]thiophene-2-carboxylate
CID 17544704
(2-Phenyl-1,3-thiazol-4-yl)methyl benzoate
CID 2386621
2-(4-Methoxycarbonyl-phenyl)-thiazole-4-carboxylic acid ethyl ester
CID 10469519
(2-phenyl-1,3-thiazol-4-yl)methyl (E)-3-thiophen-2-ylprop-2-enoate
CID 2362633
(2-Phenyl-1,3-thiazol-4-yl)methyl 2-phenylacetate
CID 2388342
(2-Phenyl-1,3-thiazol-4-yl)methyl 2-thiophen-3-ylacetate
CID 2509365

Frequently Asked Questions

What is the IUPAC name of (2-phenyl-1,3-thiazol-4-yl)methyl 3-methylthiophene-2-carboxylate?
The IUPAC name of (2-phenyl-1,3-thiazol-4-yl)methyl 3-methylthiophene-2-carboxylate (CID 2997521) is (2-phenyl-1,3-thiazol-4-yl)methyl 3-methylthiophene-2-carboxylate.
What is the SMILES notation for (2-phenyl-1,3-thiazol-4-yl)methyl 3-methylthiophene-2-carboxylate?
The canonical SMILES for (2-phenyl-1,3-thiazol-4-yl)methyl 3-methylthiophene-2-carboxylate is Cc1ccsc1C(=O)OCc1csc(-c2ccccc2)n1.
What is the InChIKey of (2-phenyl-1,3-thiazol-4-yl)methyl 3-methylthiophene-2-carboxylate?
The InChIKey is LZOCRTGDFVXVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2S2/c1-11-7-8-20-14(11)16(18)19-9-13-10-21-15(17-13)12-5-3-2-4-6-12/h2-8,10H,9H2,1H3.
What are the key properties of (2-phenyl-1,3-thiazol-4-yl)methyl 3-methylthiophene-2-carboxylate?
(2-phenyl-1,3-thiazol-4-yl)methyl 3-methylthiophene-2-carboxylate has a molecular weight of 315.42 g/mol, XLogP of 4.54, 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 3-methylthiophene-2-carboxylate is sourced from PubChem (CID 2997521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).