4-amino-3-N-[(2-chlorophenyl)methyl]-5-N-(1-phenylethyl)-1,2-thiazole-3,5-dicarboxamide

C20H19ClN4O2S — CID 53331402

IUPAC4-amino-3-N-[(2-chlorophenyl)methyl]-5-N-(1-phenylethyl)-1,2-thiazole-3,5-dicarboxamide
SMILESCC(NC(=O)c1snc(C(=O)NCc2ccccc2Cl)c1N)c1ccccc1
InChIInChI=1S/C20H19ClN4O2S/c1-12(13-7-3-2-4-8-13)24-20(27)18-16(22)17(25-28-18)19(26)23-11-14-9-5-6-10-15(14)21/h2-10,12H,11,22H2,1H3,(H,23,26)(H,24,27)
InChIKeyDPYPPZMAHJFNFF-UHFFFAOYSA-N
MW414.92 g/mol
LogP3.80
Rot. Bonds6

About 4-amino-3-N-[(2-chlorophenyl)methyl]-5-N-(1-phenylethyl)-1,2-thiazole-3,5-dicarboxamide

4-amino-3-N-[(2-chlorophenyl)methyl]-5-N-(1-phenylethyl)-1,2-thiazole-3,5-dicarboxamide (PubChem CID 53331402) has the molecular formula C20H19ClN4O2S and a molecular weight of 414.92 g/mol. Its IUPAC name is 4-amino-3-N-[(2-chlorophenyl)methyl]-5-N-(1-phenylethyl)-1,2-thiazole-3,5-dicarboxamide.

Molecular Properties

Compound Name4-amino-3-N-[(2-chlorophenyl)methyl]-5-N-(1-phenylethyl)-1,2-thiazole-3,5-dicarboxamide
PubChem CID53331402
Molecular FormulaC20H19ClN4O2S
Molecular Weight414.92 g/mol
Exact Mass414.09
IUPAC Name4-amino-3-N-[(2-chlorophenyl)methyl]-5-N-(1-phenylethyl)-1,2-thiazole-3,5-dicarboxamide
SMILESCC(NC(=O)c1snc(C(=O)NCc2ccccc2Cl)c1N)c1ccccc1
InChIInChI=1S/C20H19ClN4O2S/c1-12(13-7-3-2-4-8-13)24-20(27)18-16(22)17(25-28-18)19(26)23-11-14-9-5-6-10-15(14)21/h2-10,12H,11,22H2,1H3,(H,23,26)(H,24,27)
InChIKeyDPYPPZMAHJFNFF-UHFFFAOYSA-N
XLogP3.80
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.92
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-3-N-[(2-chlorophenyl)methyl]-5-N-[(1S)-1-phenylethyl]-1,2-thiazole-3,5-dicarboxamide
CID 95182977
4-amino-3-N-[(2-chlorophenyl)methyl]-5-N-[(2-fluorophenyl)methyl]-1,2-thiazole-3,5-dicarboxamide
CID 53331410
4-amino-3-N-[(2-chlorophenyl)methyl]-5-N-[(4-methoxyphenyl)methyl]-1,2-thiazole-3,5-dicarboxamide
CID 53331405
4-amino-3-N-[(2-chlorophenyl)methyl]-5-N-[(5-methylfuran-2-yl)methyl]-1,2-thiazole-3,5-dicarboxamide
CID 46395371
4-amino-3-N-[(2-chlorophenyl)methyl]-5-N-cycloheptyl-1,2-thiazole-3,5-dicarboxamide
CID 53331408
3,4-dichloro-N-(1-phenylethyl)-1,2-thiazole-5-carboxamide
CID 70245298
4-amino-3-N-[(2-chlorophenyl)methyl]-5-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2-thiazole-3,5-dicarboxamide
CID 46395379
4-amino-3-N-butyl-3-N-(butylcarbamoyl)-5-N-[(2-chlorophenyl)methyl]-1,2-thiazole-3,5-dicarboxamide
CID 68792041
N-[(2-chlorophenyl)methyl]-4-(1-phenylethylamino)pyridine-2-carboxamide
CID 109210753
N-[(2-chlorophenyl)methyl]-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 2684123
2-amino-3-chloro-N-(1-phenylethyl)benzamide
CID 82546896
4-amino-5-N-[1-(benzylamino)-1-oxopropan-2-yl]-5-N-[(2-chlorophenyl)methyl]-1,2-thiazole-3,5-dicarboxamide
CID 3177311

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-N-[(2-chlorophenyl)methyl]-5-N-(1-phenylethyl)-1,2-thiazole-3,5-dicarboxamide?
The IUPAC name of 4-amino-3-N-[(2-chlorophenyl)methyl]-5-N-(1-phenylethyl)-1,2-thiazole-3,5-dicarboxamide (CID 53331402) is 4-amino-3-N-[(2-chlorophenyl)methyl]-5-N-(1-phenylethyl)-1,2-thiazole-3,5-dicarboxamide.
What is the SMILES notation for 4-amino-3-N-[(2-chlorophenyl)methyl]-5-N-(1-phenylethyl)-1,2-thiazole-3,5-dicarboxamide?
The canonical SMILES for 4-amino-3-N-[(2-chlorophenyl)methyl]-5-N-(1-phenylethyl)-1,2-thiazole-3,5-dicarboxamide is CC(NC(=O)c1snc(C(=O)NCc2ccccc2Cl)c1N)c1ccccc1.
What is the InChIKey of 4-amino-3-N-[(2-chlorophenyl)methyl]-5-N-(1-phenylethyl)-1,2-thiazole-3,5-dicarboxamide?
The InChIKey is DPYPPZMAHJFNFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O2S/c1-12(13-7-3-2-4-8-13)24-20(27)18-16(22)17(25-28-18)19(26)23-11-14-9-5-6-10-15(14)21/h2-10,12H,11,22H2,1H3,(H,23,26)(H,24,27).
What are the key properties of 4-amino-3-N-[(2-chlorophenyl)methyl]-5-N-(1-phenylethyl)-1,2-thiazole-3,5-dicarboxamide?
4-amino-3-N-[(2-chlorophenyl)methyl]-5-N-(1-phenylethyl)-1,2-thiazole-3,5-dicarboxamide has a molecular weight of 414.92 g/mol, XLogP of 3.80, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-N-[(2-chlorophenyl)methyl]-5-N-(1-phenylethyl)-1,2-thiazole-3,5-dicarboxamide is sourced from PubChem (CID 53331402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).