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

C16H13N3OS — CID 60926943

IUPAC4-amino-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide
SMILESNc1ccc(C(=O)Nc2ccc(-c3nccs3)cc2)cc1
InChIInChI=1S/C16H13N3OS/c17-13-5-1-11(2-6-13)15(20)19-14-7-3-12(4-8-14)16-18-9-10-21-16/h1-10H,17H2,(H,19,20)
InChIKeyDDMKXMYKJYLYLZ-UHFFFAOYSA-N
MW295.37 g/mol
LogP3.64
Rot. Bonds3

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

4-amino-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide (PubChem CID 60926943) has the molecular formula C16H13N3OS and a molecular weight of 295.37 g/mol. Its IUPAC name is 4-amino-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-amino-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide
PubChem CID60926943
Molecular FormulaC16H13N3OS
Molecular Weight295.37 g/mol
Exact Mass295.08
IUPAC Name4-amino-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide
SMILESNc1ccc(C(=O)Nc2ccc(-c3nccs3)cc2)cc1
InChIInChI=1S/C16H13N3OS/c17-13-5-1-11(2-6-13)15(20)19-14-7-3-12(4-8-14)16-18-9-10-21-16/h1-10H,17H2,(H,19,20)
InChIKeyDDMKXMYKJYLYLZ-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[4-(1,3-thiazol-2-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 62787701
N-[4-(1,3-thiazol-2-yl)phenyl]-4-(1,2,4-triazol-1-yl)benzamide
CID 27702237
N-[4-(1,3-thiazol-2-yl)phenyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 24648839
3-fluoro-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide
CID 8795595
2-chloro-N-[4-(1,3-thiazol-2-yl)phenyl]quinoline-6-carboxamide
CID 55823361
3-bromo-4-methoxy-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide
CID 28544978
3-cyano-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide
CID 8795282
bis[4-(1,3-thiazol-2-yl)phenyl]methanone
CID 146425122
(2R)-2-amino-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide
CID 54995648
2,4,6-trimethyl-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide
CID 84534803
5-chloro-N-[4-(1,3-thiazol-2-yl)phenyl]thiophene-2-carboxamide
CID 17435952
4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide
CID 24648848

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide?
The IUPAC name of 4-amino-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide (CID 60926943) is 4-amino-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide.
What is the SMILES notation for 4-amino-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide?
The canonical SMILES for 4-amino-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide is Nc1ccc(C(=O)Nc2ccc(-c3nccs3)cc2)cc1.
What is the InChIKey of 4-amino-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide?
The InChIKey is DDMKXMYKJYLYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3OS/c17-13-5-1-11(2-6-13)15(20)19-14-7-3-12(4-8-14)16-18-9-10-21-16/h1-10H,17H2,(H,19,20).
What are the key properties of 4-amino-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide?
4-amino-N-[4-(1,3-thiazol-2-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 4-amino-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide is sourced from PubChem (CID 60926943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).