2-[(4-phenoxyphenyl)methyl]-1,3-thiazole-5-carboxamide

C17H14N2O2S — CID 141096426

IUPAC2-[(4-phenoxyphenyl)methyl]-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1cnc(Cc2ccc(Oc3ccccc3)cc2)s1
InChIInChI=1S/C17H14N2O2S/c18-17(20)15-11-19-16(22-15)10-12-6-8-14(9-7-12)21-13-4-2-1-3-5-13/h1-9,11H,10H2,(H2,18,20)
InChIKeyOPITUTXJNOJNEI-UHFFFAOYSA-N
MW310.38 g/mol
LogP3.63
Rot. Bonds5

About 2-[(4-phenoxyphenyl)methyl]-1,3-thiazole-5-carboxamide

2-[(4-phenoxyphenyl)methyl]-1,3-thiazole-5-carboxamide (PubChem CID 141096426) has the molecular formula C17H14N2O2S and a molecular weight of 310.38 g/mol. Its IUPAC name is 2-[(4-phenoxyphenyl)methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[(4-phenoxyphenyl)methyl]-1,3-thiazole-5-carboxamide
PubChem CID141096426
Molecular FormulaC17H14N2O2S
Molecular Weight310.38 g/mol
Exact Mass310.08
IUPAC Name2-[(4-phenoxyphenyl)methyl]-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1cnc(Cc2ccc(Oc3ccccc3)cc2)s1
InChIInChI=1S/C17H14N2O2S/c18-17(20)15-11-19-16(22-15)10-12-6-8-14(9-7-12)21-13-4-2-1-3-5-13/h1-9,11H,10H2,(H2,18,20)
InChIKeyOPITUTXJNOJNEI-UHFFFAOYSA-N
XLogP3.63
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-phenoxyphenyl)methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[(4-phenoxyphenyl)methyl]-1,3-thiazole-5-carboxamide (CID 141096426) is 2-[(4-phenoxyphenyl)methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[(4-phenoxyphenyl)methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[(4-phenoxyphenyl)methyl]-1,3-thiazole-5-carboxamide is NC(=O)c1cnc(Cc2ccc(Oc3ccccc3)cc2)s1.
What is the InChIKey of 2-[(4-phenoxyphenyl)methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is OPITUTXJNOJNEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2S/c18-17(20)15-11-19-16(22-15)10-12-6-8-14(9-7-12)21-13-4-2-1-3-5-13/h1-9,11H,10H2,(H2,18,20).
What are the key properties of 2-[(4-phenoxyphenyl)methyl]-1,3-thiazole-5-carboxamide?
2-[(4-phenoxyphenyl)methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 310.38 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-phenoxyphenyl)methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 141096426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).