5-amino-2,3-dichloro-N-[1-(1,3-thiazol-2-yl)propyl]benzamide

C13H13Cl2N3OS — CID 107185291

IUPAC5-amino-2,3-dichloro-N-[1-(1,3-thiazol-2-yl)propyl]benzamide
SMILESCCC(NC(=O)c1cc(N)cc(Cl)c1Cl)c1nccs1
InChIInChI=1S/C13H13Cl2N3OS/c1-2-10(13-17-3-4-20-13)18-12(19)8-5-7(16)6-9(14)11(8)15/h3-6,10H,2,16H2,1H3,(H,18,19)
InChIKeyWPSCLNUISMNWGE-UHFFFAOYSA-N
MW330.24 g/mol
LogP3.91
Rot. Bonds4

About 5-amino-2,3-dichloro-N-[1-(1,3-thiazol-2-yl)propyl]benzamide

5-amino-2,3-dichloro-N-[1-(1,3-thiazol-2-yl)propyl]benzamide (PubChem CID 107185291) has the molecular formula C13H13Cl2N3OS and a molecular weight of 330.24 g/mol. Its IUPAC name is 5-amino-2,3-dichloro-N-[1-(1,3-thiazol-2-yl)propyl]benzamide.

Molecular Properties

Compound Name5-amino-2,3-dichloro-N-[1-(1,3-thiazol-2-yl)propyl]benzamide
PubChem CID107185291
Molecular FormulaC13H13Cl2N3OS
Molecular Weight330.24 g/mol
Exact Mass329.02
IUPAC Name5-amino-2,3-dichloro-N-[1-(1,3-thiazol-2-yl)propyl]benzamide
SMILESCCC(NC(=O)c1cc(N)cc(Cl)c1Cl)c1nccs1
InChIInChI=1S/C13H13Cl2N3OS/c1-2-10(13-17-3-4-20-13)18-12(19)8-5-7(16)6-9(14)11(8)15/h3-6,10H,2,16H2,1H3,(H,18,19)
InChIKeyWPSCLNUISMNWGE-UHFFFAOYSA-N
XLogP3.91
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.24
LogP ≤ 53.91
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

5-amino-2-fluoro-3-methyl-N-[1-(1,3-thiazol-2-yl)propyl]benzamide
CID 103296531
3,6-dichloro-N-[1-(1,3-thiazol-2-yl)propyl]pyridazine-4-carboxamide
CID 114038514
5-chloro-2-(methylamino)-N-[1-(1,3-thiazol-2-yl)propyl]pyridine-4-carboxamide
CID 114923771
6-methyl-4-oxo-N-[1-(1,3-thiazol-2-yl)propyl]-1H-pyridine-3-carboxamide
CID 103718209
4-amino-2-(methylamino)-N-[1-(1,3-thiazol-2-yl)propyl]-1,3-thiazole-5-carboxamide
CID 116666932
2-(2-aminoethoxy)-5-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]benzamide
CID 125169864
2-(2-aminoethoxy)-5-methyl-N-[1-(1,3-thiazol-2-yl)propyl]benzamide
CID 118783713
5-amino-2,3-dichloro-N-(1-thiophen-2-ylethyl)benzamide
CID 107183624
5-amino-2,3-dichloro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 107185774
2-(1-aminoethyl)-N-[1-(1,3-thiazol-2-yl)propyl]-1,3-thiazole-4-carboxamide
CID 66389189
2-[2-(methylamino)ethyl]-N-[1-(1,3-thiazol-2-yl)propyl]benzamide
CID 104547969
(2R)-2-amino-N-[1-(1,3-thiazol-2-yl)propyl]pentanamide
CID 103814744

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,3-dichloro-N-[1-(1,3-thiazol-2-yl)propyl]benzamide?
The IUPAC name of 5-amino-2,3-dichloro-N-[1-(1,3-thiazol-2-yl)propyl]benzamide (CID 107185291) is 5-amino-2,3-dichloro-N-[1-(1,3-thiazol-2-yl)propyl]benzamide.
What is the SMILES notation for 5-amino-2,3-dichloro-N-[1-(1,3-thiazol-2-yl)propyl]benzamide?
The canonical SMILES for 5-amino-2,3-dichloro-N-[1-(1,3-thiazol-2-yl)propyl]benzamide is CCC(NC(=O)c1cc(N)cc(Cl)c1Cl)c1nccs1.
What is the InChIKey of 5-amino-2,3-dichloro-N-[1-(1,3-thiazol-2-yl)propyl]benzamide?
The InChIKey is WPSCLNUISMNWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3OS/c1-2-10(13-17-3-4-20-13)18-12(19)8-5-7(16)6-9(14)11(8)15/h3-6,10H,2,16H2,1H3,(H,18,19).
What are the key properties of 5-amino-2,3-dichloro-N-[1-(1,3-thiazol-2-yl)propyl]benzamide?
5-amino-2,3-dichloro-N-[1-(1,3-thiazol-2-yl)propyl]benzamide has a molecular weight of 330.24 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,3-dichloro-N-[1-(1,3-thiazol-2-yl)propyl]benzamide is sourced from PubChem (CID 107185291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).