(2-phenyl-1,3-thiazol-4-yl)methyl 2-thiophen-3-ylacetate

C16H13NO2S2 — CID 2509365

IUPAC(2-phenyl-1,3-thiazol-4-yl)methyl 2-thiophen-3-ylacetate
SMILESO=C(Cc1ccsc1)OCc1csc(-c2ccccc2)n1
InChIInChI=1S/C16H13NO2S2/c18-15(8-12-6-7-20-10-12)19-9-14-11-21-16(17-14)13-4-2-1-3-5-13/h1-7,10-11H,8-9H2
InChIKeyUALGUZGMAQWKPZ-UHFFFAOYSA-N
MW315.42 g/mol
LogP4.16
Rot. Bonds5

About (2-phenyl-1,3-thiazol-4-yl)methyl 2-thiophen-3-ylacetate

(2-phenyl-1,3-thiazol-4-yl)methyl 2-thiophen-3-ylacetate (PubChem CID 2509365) 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 2-thiophen-3-ylacetate.

Molecular Properties

Compound Name(2-phenyl-1,3-thiazol-4-yl)methyl 2-thiophen-3-ylacetate
PubChem CID2509365
Molecular FormulaC16H13NO2S2
Molecular Weight315.42 g/mol
Exact Mass315.04
IUPAC Name(2-phenyl-1,3-thiazol-4-yl)methyl 2-thiophen-3-ylacetate
SMILESO=C(Cc1ccsc1)OCc1csc(-c2ccccc2)n1
InChIInChI=1S/C16H13NO2S2/c18-15(8-12-6-7-20-10-12)19-9-14-11-21-16(17-14)13-4-2-1-3-5-13/h1-7,10-11H,8-9H2
InChIKeyUALGUZGMAQWKPZ-UHFFFAOYSA-N
XLogP4.16
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-Phenyl-1,3-thiazol-4-yl)methyl thiophene-2-carboxylate
CID 2115030
(2-Phenyl-1,3-thiazol-4-yl)methyl 3-methylthiophene-2-carboxylate
CID 2997521
Benzyl 2-phenylthiazole-4-carboxylate
CID 8278199
Ethyl 2-phenyl-1,3-thiazole-4-carboxylate
CID 10036966
(2-Phenyl-1,3-thiazol-4-yl)methyl benzoate
CID 2386621
Ethyl 2-(2-phenyl-1,3-thiazol-4-yl)acetate
CID 2797666
(2-Phenyl-1,3-thiazol-4-yl)methyl 3-(benzenesulfonyl)propanoate
CID 2118237
(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
1,3-Benzothiazol-2-ylmethyl 2-thiophen-3-ylacetate
CID 2401453
3-[2-(Thiophen-2-yl)-1,3-thiazol-4-yl]-1h-isochromen-1-one
CID 154585865
(2-Phenyl-1,3-thiazol-4-yl)methyl 2,4-dimethyl-1,3-thiazole-5-carboxylate
CID 16519551

Frequently Asked Questions

What is the IUPAC name of (2-phenyl-1,3-thiazol-4-yl)methyl 2-thiophen-3-ylacetate?
The IUPAC name of (2-phenyl-1,3-thiazol-4-yl)methyl 2-thiophen-3-ylacetate (CID 2509365) is (2-phenyl-1,3-thiazol-4-yl)methyl 2-thiophen-3-ylacetate.
What is the SMILES notation for (2-phenyl-1,3-thiazol-4-yl)methyl 2-thiophen-3-ylacetate?
The canonical SMILES for (2-phenyl-1,3-thiazol-4-yl)methyl 2-thiophen-3-ylacetate is O=C(Cc1ccsc1)OCc1csc(-c2ccccc2)n1.
What is the InChIKey of (2-phenyl-1,3-thiazol-4-yl)methyl 2-thiophen-3-ylacetate?
The InChIKey is UALGUZGMAQWKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2S2/c18-15(8-12-6-7-20-10-12)19-9-14-11-21-16(17-14)13-4-2-1-3-5-13/h1-7,10-11H,8-9H2.
What are the key properties of (2-phenyl-1,3-thiazol-4-yl)methyl 2-thiophen-3-ylacetate?
(2-phenyl-1,3-thiazol-4-yl)methyl 2-thiophen-3-ylacetate has a molecular weight of 315.42 g/mol, XLogP of 4.16, 5 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 2-thiophen-3-ylacetate is sourced from PubChem (CID 2509365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).