N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]benzamide

C16H13N3OS — CID 3572363

IUPACN-[4-(2-amino-1,3-thiazol-4-yl)phenyl]benzamide
SMILESNc1nc(-c2ccc(NC(=O)c3ccccc3)cc2)cs1
InChIInChI=1S/C16H13N3OS/c17-16-19-14(10-21-16)11-6-8-13(9-7-11)18-15(20)12-4-2-1-3-5-12/h1-10H,(H2,17,19)(H,18,20)
InChIKeyWNMRWBLANCRRGL-UHFFFAOYSA-N
MW295.37 g/mol
LogP3.64
Rot. Bonds3

About N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]benzamide

N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]benzamide (PubChem CID 3572363) has the molecular formula C16H13N3OS and a molecular weight of 295.37 g/mol. Its IUPAC name is N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]benzamide.

Molecular Properties

Compound NameN-[4-(2-amino-1,3-thiazol-4-yl)phenyl]benzamide
PubChem CID3572363
Molecular FormulaC16H13N3OS
Molecular Weight295.37 g/mol
Exact Mass295.08
IUPAC NameN-[4-(2-amino-1,3-thiazol-4-yl)phenyl]benzamide
SMILESNc1nc(-c2ccc(NC(=O)c3ccccc3)cc2)cs1
InChIInChI=1S/C16H13N3OS/c17-16-19-14(10-21-16)11-6-8-13(9-7-11)18-15(20)12-4-2-1-3-5-12/h1-10H,(H2,17,19)(H,18,20)
InChIKeyWNMRWBLANCRRGL-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 N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]benzamide?
The IUPAC name of N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]benzamide (CID 3572363) is N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]benzamide.
What is the SMILES notation for N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]benzamide?
The canonical SMILES for N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]benzamide is Nc1nc(-c2ccc(NC(=O)c3ccccc3)cc2)cs1.
What is the InChIKey of N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]benzamide?
The InChIKey is WNMRWBLANCRRGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3OS/c17-16-19-14(10-21-16)11-6-8-13(9-7-11)18-15(20)12-4-2-1-3-5-12/h1-10H,(H2,17,19)(H,18,20).
What are the key properties of N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]benzamide?
N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]benzamide 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 N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]benzamide is sourced from PubChem (CID 3572363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).