(2-phenyl-1,3-thiazol-4-yl)methyl 2,4-dimethyl-1,3-thiazole-5-carboxylate

C16H14N2O2S2 — CID 16519551

IUPAC(2-phenyl-1,3-thiazol-4-yl)methyl 2,4-dimethyl-1,3-thiazole-5-carboxylate
SMILESCc1nc(C)c(C(=O)OCc2csc(-c3ccccc3)n2)s1
InChIInChI=1S/C16H14N2O2S2/c1-10-14(22-11(2)17-10)16(19)20-8-13-9-21-15(18-13)12-6-4-3-5-7-12/h3-7,9H,8H2,1-2H3
InChIKeyYLFRATAZRUCXKO-UHFFFAOYSA-N
MW330.43 g/mol
LogP4.24
Rot. Bonds4

About (2-phenyl-1,3-thiazol-4-yl)methyl 2,4-dimethyl-1,3-thiazole-5-carboxylate

(2-phenyl-1,3-thiazol-4-yl)methyl 2,4-dimethyl-1,3-thiazole-5-carboxylate (PubChem CID 16519551) has the molecular formula C16H14N2O2S2 and a molecular weight of 330.43 g/mol. Its IUPAC name is (2-phenyl-1,3-thiazol-4-yl)methyl 2,4-dimethyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Name(2-phenyl-1,3-thiazol-4-yl)methyl 2,4-dimethyl-1,3-thiazole-5-carboxylate
PubChem CID16519551
Molecular FormulaC16H14N2O2S2
Molecular Weight330.43 g/mol
Exact Mass330.05
IUPAC Name(2-phenyl-1,3-thiazol-4-yl)methyl 2,4-dimethyl-1,3-thiazole-5-carboxylate
SMILESCc1nc(C)c(C(=O)OCc2csc(-c3ccccc3)n2)s1
InChIInChI=1S/C16H14N2O2S2/c1-10-14(22-11(2)17-10)16(19)20-8-13-9-21-15(18-13)12-6-4-3-5-7-12/h3-7,9H,8H2,1-2H3
InChIKeyYLFRATAZRUCXKO-UHFFFAOYSA-N
XLogP4.24
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-phenyl-1,3-thiazol-4-yl)methyl 2,4-dimethyl-1,3-thiazole-5-carboxylate?
The IUPAC name of (2-phenyl-1,3-thiazol-4-yl)methyl 2,4-dimethyl-1,3-thiazole-5-carboxylate (CID 16519551) is (2-phenyl-1,3-thiazol-4-yl)methyl 2,4-dimethyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for (2-phenyl-1,3-thiazol-4-yl)methyl 2,4-dimethyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for (2-phenyl-1,3-thiazol-4-yl)methyl 2,4-dimethyl-1,3-thiazole-5-carboxylate is Cc1nc(C)c(C(=O)OCc2csc(-c3ccccc3)n2)s1.
What is the InChIKey of (2-phenyl-1,3-thiazol-4-yl)methyl 2,4-dimethyl-1,3-thiazole-5-carboxylate?
The InChIKey is YLFRATAZRUCXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S2/c1-10-14(22-11(2)17-10)16(19)20-8-13-9-21-15(18-13)12-6-4-3-5-7-12/h3-7,9H,8H2,1-2H3.
What are the key properties of (2-phenyl-1,3-thiazol-4-yl)methyl 2,4-dimethyl-1,3-thiazole-5-carboxylate?
(2-phenyl-1,3-thiazol-4-yl)methyl 2,4-dimethyl-1,3-thiazole-5-carboxylate has a molecular weight of 330.43 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenyl-1,3-thiazol-4-yl)methyl 2,4-dimethyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 16519551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).