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

C20H19ClN4O3S — CID 53331405

IUPAC4-amino-3-N-[(2-chlorophenyl)methyl]-5-N-[(4-methoxyphenyl)methyl]-1,2-thiazole-3,5-dicarboxamide
SMILESCOc1ccc(CNC(=O)c2snc(C(=O)NCc3ccccc3Cl)c2N)cc1
InChIInChI=1S/C20H19ClN4O3S/c1-28-14-8-6-12(7-9-14)10-23-20(27)18-16(22)17(25-29-18)19(26)24-11-13-4-2-3-5-15(13)21/h2-9H,10-11,22H2,1H3,(H,23,27)(H,24,26)
InChIKeyAFOOSMYKLQDYPI-UHFFFAOYSA-N
MW430.92 g/mol
LogP3.25
Rot. Bonds7

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

4-amino-3-N-[(2-chlorophenyl)methyl]-5-N-[(4-methoxyphenyl)methyl]-1,2-thiazole-3,5-dicarboxamide (PubChem CID 53331405) has the molecular formula C20H19ClN4O3S and a molecular weight of 430.92 g/mol. Its IUPAC name is 4-amino-3-N-[(2-chlorophenyl)methyl]-5-N-[(4-methoxyphenyl)methyl]-1,2-thiazole-3,5-dicarboxamide.

Molecular Properties

Compound Name4-amino-3-N-[(2-chlorophenyl)methyl]-5-N-[(4-methoxyphenyl)methyl]-1,2-thiazole-3,5-dicarboxamide
PubChem CID53331405
Molecular FormulaC20H19ClN4O3S
Molecular Weight430.92 g/mol
Exact Mass430.09
IUPAC Name4-amino-3-N-[(2-chlorophenyl)methyl]-5-N-[(4-methoxyphenyl)methyl]-1,2-thiazole-3,5-dicarboxamide
SMILESCOc1ccc(CNC(=O)c2snc(C(=O)NCc3ccccc3Cl)c2N)cc1
InChIInChI=1S/C20H19ClN4O3S/c1-28-14-8-6-12(7-9-14)10-23-20(27)18-16(22)17(25-29-18)19(26)24-11-13-4-2-3-5-15(13)21/h2-9H,10-11,22H2,1H3,(H,23,27)(H,24,26)
InChIKeyAFOOSMYKLQDYPI-UHFFFAOYSA-N
XLogP3.25
TPSA106.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.92
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-3-N-[(2-chlorophenyl)methyl]-5-N-[(2-fluorophenyl)methyl]-1,2-thiazole-3,5-dicarboxamide
CID 53331410
4-amino-3-N-[(3-methoxyphenyl)methyl]-5-N-[(4-methoxyphenyl)methyl]-1,2-thiazole-3,5-dicarboxamide
CID 46395404
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-[[3-(trifluoromethyl)phenyl]methyl]-1,2-thiazole-3,5-dicarboxamide
CID 46395379
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-(1-phenylethyl)-1,2-thiazole-3,5-dicarboxamide
CID 53331402
4-amino-5-N-benzyl-3-N-[(3-methoxyphenyl)methyl]-1,2-thiazole-3,5-dicarboxamide
CID 53134282
4-amino-3-N-[(2-chlorophenyl)methyl]-5-N-cycloheptyl-1,2-thiazole-3,5-dicarboxamide
CID 53331408
4-amino-3-N-butyl-3-N-(butylcarbamoyl)-5-N-[(2-chlorophenyl)methyl]-1,2-thiazole-3,5-dicarboxamide
CID 68792041
4-amino-5-N-[(3,4-dimethylphenyl)methyl]-3-N-[(3-methoxyphenyl)methyl]-1,2-thiazole-3,5-dicarboxamide
CID 46395418
4-amino-N-[(2-methoxyphenyl)methyl]-3-(pyrrolidine-1-carbonyl)-1,2-thiazole-5-carboxamide
CID 52905820
methyl 4-amino-3-[(4-fluorophenyl)methylcarbamoyl]-1,2-thiazole-5-carboxylate
CID 50743406

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-N-[(2-chlorophenyl)methyl]-5-N-[(4-methoxyphenyl)methyl]-1,2-thiazole-3,5-dicarboxamide?
The IUPAC name of 4-amino-3-N-[(2-chlorophenyl)methyl]-5-N-[(4-methoxyphenyl)methyl]-1,2-thiazole-3,5-dicarboxamide (CID 53331405) is 4-amino-3-N-[(2-chlorophenyl)methyl]-5-N-[(4-methoxyphenyl)methyl]-1,2-thiazole-3,5-dicarboxamide.
What is the SMILES notation for 4-amino-3-N-[(2-chlorophenyl)methyl]-5-N-[(4-methoxyphenyl)methyl]-1,2-thiazole-3,5-dicarboxamide?
The canonical SMILES for 4-amino-3-N-[(2-chlorophenyl)methyl]-5-N-[(4-methoxyphenyl)methyl]-1,2-thiazole-3,5-dicarboxamide is COc1ccc(CNC(=O)c2snc(C(=O)NCc3ccccc3Cl)c2N)cc1.
What is the InChIKey of 4-amino-3-N-[(2-chlorophenyl)methyl]-5-N-[(4-methoxyphenyl)methyl]-1,2-thiazole-3,5-dicarboxamide?
The InChIKey is AFOOSMYKLQDYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O3S/c1-28-14-8-6-12(7-9-14)10-23-20(27)18-16(22)17(25-29-18)19(26)24-11-13-4-2-3-5-15(13)21/h2-9H,10-11,22H2,1H3,(H,23,27)(H,24,26).
What are the key properties of 4-amino-3-N-[(2-chlorophenyl)methyl]-5-N-[(4-methoxyphenyl)methyl]-1,2-thiazole-3,5-dicarboxamide?
4-amino-3-N-[(2-chlorophenyl)methyl]-5-N-[(4-methoxyphenyl)methyl]-1,2-thiazole-3,5-dicarboxamide has a molecular weight of 430.92 g/mol, XLogP of 3.25, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-N-[(2-chlorophenyl)methyl]-5-N-[(4-methoxyphenyl)methyl]-1,2-thiazole-3,5-dicarboxamide is sourced from PubChem (CID 53331405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).