4-[[4-[amino-(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]benzamide

C17H15ClN4OS — CID 46944103

IUPAC4-[[4-[amino-(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]benzamide
SMILESNC(=O)c1ccc(Nc2nc(C(N)c3ccccc3Cl)cs2)cc1
InChIInChI=1S/C17H15ClN4OS/c18-13-4-2-1-3-12(13)15(19)14-9-24-17(22-14)21-11-7-5-10(6-8-11)16(20)23/h1-9,15H,19H2,(H2,20,23)(H,21,22)
InChIKeyQJGQGFOLFNWUFG-UHFFFAOYSA-N
MW358.85 g/mol
LogP3.69
Rot. Bonds5

About 4-[[4-[amino-(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]benzamide

4-[[4-[amino-(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]benzamide (PubChem CID 46944103) has the molecular formula C17H15ClN4OS and a molecular weight of 358.85 g/mol. Its IUPAC name is 4-[[4-[amino-(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]benzamide.

Molecular Properties

Compound Name4-[[4-[amino-(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]benzamide
PubChem CID46944103
Molecular FormulaC17H15ClN4OS
Molecular Weight358.85 g/mol
Exact Mass358.07
IUPAC Name4-[[4-[amino-(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]benzamide
SMILESNC(=O)c1ccc(Nc2nc(C(N)c3ccccc3Cl)cs2)cc1
InChIInChI=1S/C17H15ClN4OS/c18-13-4-2-1-3-12(13)15(19)14-9-24-17(22-14)21-11-7-5-10(6-8-11)16(20)23/h1-9,15H,19H2,(H2,20,23)(H,21,22)
InChIKeyQJGQGFOLFNWUFG-UHFFFAOYSA-N
XLogP3.69
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.85
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-[amino-(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]benzamide?
The IUPAC name of 4-[[4-[amino-(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]benzamide (CID 46944103) is 4-[[4-[amino-(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]benzamide.
What is the SMILES notation for 4-[[4-[amino-(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]benzamide?
The canonical SMILES for 4-[[4-[amino-(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]benzamide is NC(=O)c1ccc(Nc2nc(C(N)c3ccccc3Cl)cs2)cc1.
What is the InChIKey of 4-[[4-[amino-(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]benzamide?
The InChIKey is QJGQGFOLFNWUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4OS/c18-13-4-2-1-3-12(13)15(19)14-9-24-17(22-14)21-11-7-5-10(6-8-11)16(20)23/h1-9,15H,19H2,(H2,20,23)(H,21,22).
What are the key properties of 4-[[4-[amino-(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]benzamide?
4-[[4-[amino-(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]benzamide has a molecular weight of 358.85 g/mol, XLogP of 3.69, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[amino-(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]benzamide is sourced from PubChem (CID 46944103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).