2-amino-N,4-diphenyl-1,3-thiazole-5-carboxamide

C16H13N3OS — CID 678358

IUPAC2-amino-N,4-diphenyl-1,3-thiazole-5-carboxamide
SMILESNc1nc(-c2ccccc2)c(C(=O)Nc2ccccc2)s1
InChIInChI=1S/C16H13N3OS/c17-16-19-13(11-7-3-1-4-8-11)14(21-16)15(20)18-12-9-5-2-6-10-12/h1-10H,(H2,17,19)(H,18,20)
InChIKeyUSJJTZJZWYSQRZ-UHFFFAOYSA-N
MW295.37 g/mol
LogP3.64
Rot. Bonds3

About 2-amino-N,4-diphenyl-1,3-thiazole-5-carboxamide

2-amino-N,4-diphenyl-1,3-thiazole-5-carboxamide (PubChem CID 678358) has the molecular formula C16H13N3OS and a molecular weight of 295.37 g/mol. Its IUPAC name is 2-amino-N,4-diphenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-amino-N,4-diphenyl-1,3-thiazole-5-carboxamide
PubChem CID678358
Molecular FormulaC16H13N3OS
Molecular Weight295.37 g/mol
Exact Mass295.08
IUPAC Name2-amino-N,4-diphenyl-1,3-thiazole-5-carboxamide
SMILESNc1nc(-c2ccccc2)c(C(=O)Nc2ccccc2)s1
InChIInChI=1S/C16H13N3OS/c17-16-19-13(11-7-3-1-4-8-11)14(21-16)15(20)18-12-9-5-2-6-10-12/h1-10H,(H2,17,19)(H,18,20)
InChIKeyUSJJTZJZWYSQRZ-UHFFFAOYSA-N
XLogP3.64
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N,4-diphenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-amino-N,4-diphenyl-1,3-thiazole-5-carboxamide (CID 678358) is 2-amino-N,4-diphenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-amino-N,4-diphenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-amino-N,4-diphenyl-1,3-thiazole-5-carboxamide is Nc1nc(-c2ccccc2)c(C(=O)Nc2ccccc2)s1.
What is the InChIKey of 2-amino-N,4-diphenyl-1,3-thiazole-5-carboxamide?
The InChIKey is USJJTZJZWYSQRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3OS/c17-16-19-13(11-7-3-1-4-8-11)14(21-16)15(20)18-12-9-5-2-6-10-12/h1-10H,(H2,17,19)(H,18,20).
What are the key properties of 2-amino-N,4-diphenyl-1,3-thiazole-5-carboxamide?
2-amino-N,4-diphenyl-1,3-thiazole-5-carboxamide has a molecular weight of 295.37 g/mol, XLogP of 3.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,4-diphenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 678358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).