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

C12H13N3OS — CID 63238691

IUPAC4-amino-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
SMILESNc1ccc(C(=O)NCCc2nccs2)cc1
InChIInChI=1S/C12H13N3OS/c13-10-3-1-9(2-4-10)12(16)15-6-5-11-14-7-8-17-11/h1-4,7-8H,5-6,13H2,(H,15,16)
InChIKeyWPRLJXACODNJKK-UHFFFAOYSA-N
MW247.32 g/mol
LogP1.70
Rot. Bonds4

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

4-amino-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide (PubChem CID 63238691) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is 4-amino-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-amino-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
PubChem CID63238691
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC Name4-amino-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
SMILESNc1ccc(C(=O)NCCc2nccs2)cc1
InChIInChI=1S/C12H13N3OS/c13-10-3-1-9(2-4-10)12(16)15-6-5-11-14-7-8-17-11/h1-4,7-8H,5-6,13H2,(H,15,16)
InChIKeyWPRLJXACODNJKK-UHFFFAOYSA-N
XLogP1.70
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 51.70
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

4-sulfanyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 107029539
4-(bromomethyl)-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 113241891
4-phenyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 49357165
2,4-diamino-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 55175798
4-(pyrimidin-2-ylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 71709739
6-bromo-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide
CID 66462176
2-(5-amino-2-pyridinyl)-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide
CID 107338793
3-bromo-4-fluoro-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 103707187
3-bromo-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide
CID 49357196
6-(ethylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide
CID 55175820
5-iodo-N-[2-(1,3-thiazol-2-yl)ethyl]thiophene-3-carboxamide
CID 78948417
4-amino-N-[2-(4-aminophenyl)ethyl]benzamide
CID 110483115

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide?
The IUPAC name of 4-amino-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide (CID 63238691) is 4-amino-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide.
What is the SMILES notation for 4-amino-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide?
The canonical SMILES for 4-amino-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide is Nc1ccc(C(=O)NCCc2nccs2)cc1.
What is the InChIKey of 4-amino-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide?
The InChIKey is WPRLJXACODNJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS/c13-10-3-1-9(2-4-10)12(16)15-6-5-11-14-7-8-17-11/h1-4,7-8H,5-6,13H2,(H,15,16).
What are the key properties of 4-amino-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide?
4-amino-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide has a molecular weight of 247.32 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(1,3-thiazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 63238691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).