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

C19H23ClN4O2S — CID 53331408

IUPAC4-amino-3-N-[(2-chlorophenyl)methyl]-5-N-cycloheptyl-1,2-thiazole-3,5-dicarboxamide
SMILESNc1c(C(=O)NCc2ccccc2Cl)nsc1C(=O)NC1CCCCCC1
InChIInChI=1S/C19H23ClN4O2S/c20-14-10-6-5-7-12(14)11-22-18(25)16-15(21)17(27-24-16)19(26)23-13-8-3-1-2-4-9-13/h5-7,10,13H,1-4,8-9,11,21H2,(H,22,25)(H,23,26)
InChIKeyARLFHNZUPWGKQM-UHFFFAOYSA-N
MW406.94 g/mol
LogP3.76
Rot. Bonds5

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

4-amino-3-N-[(2-chlorophenyl)methyl]-5-N-cycloheptyl-1,2-thiazole-3,5-dicarboxamide (PubChem CID 53331408) has the molecular formula C19H23ClN4O2S and a molecular weight of 406.94 g/mol. Its IUPAC name is 4-amino-3-N-[(2-chlorophenyl)methyl]-5-N-cycloheptyl-1,2-thiazole-3,5-dicarboxamide.

Molecular Properties

Compound Name4-amino-3-N-[(2-chlorophenyl)methyl]-5-N-cycloheptyl-1,2-thiazole-3,5-dicarboxamide
PubChem CID53331408
Molecular FormulaC19H23ClN4O2S
Molecular Weight406.94 g/mol
Exact Mass406.12
IUPAC Name4-amino-3-N-[(2-chlorophenyl)methyl]-5-N-cycloheptyl-1,2-thiazole-3,5-dicarboxamide
SMILESNc1c(C(=O)NCc2ccccc2Cl)nsc1C(=O)NC1CCCCCC1
InChIInChI=1S/C19H23ClN4O2S/c20-14-10-6-5-7-12(14)11-22-18(25)16-15(21)17(27-24-16)19(26)23-13-8-3-1-2-4-9-13/h5-7,10,13H,1-4,8-9,11,21H2,(H,22,25)(H,23,26)
InChIKeyARLFHNZUPWGKQM-UHFFFAOYSA-N
XLogP3.76
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.94
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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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-[(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-[(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-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-cyclohexyl-5-N-[(2R)-1-(cyclopentylamino)-1-oxobutan-2-yl]-5-N-phenyl-1,2-thiazole-3,5-dicarboxamide
CID 1156229
4-amino-5-N-[(1S)-1-(4-chlorophenyl)-2-(cyclopentylamino)-2-oxoethyl]-3-N-cyclohexyl-5-N-[(2-fluorophenyl)methyl]-1,2-thiazole-3,5-dicarboxamide
CID 98091985
4-amino-5-N-[(2-chlorophenyl)methyl]-5-N-[(1R)-2-(cyclopentylamino)-2-oxo-1-pyridin-4-ylethyl]-1,2-thiazole-3,5-dicarboxamide
CID 40615292
4-amino-5-N-(4-chlorophenyl)-3-N-cyclohexyl-5-N-[(2R)-1-(cyclopentylamino)-1-oxobutan-2-yl]-1,2-thiazole-3,5-dicarboxamide
CID 1156238
4-amino-N-cyclopentyl-3-phenyl-1,2-thiazole-5-carboxamide
CID 53335704
4-amino-3-N-(cyclopropylmethyl)-5-N-[(2-fluorophenyl)methyl]-1,2-thiazole-3,5-dicarboxamide
CID 53335804

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-N-[(2-chlorophenyl)methyl]-5-N-cycloheptyl-1,2-thiazole-3,5-dicarboxamide?
The IUPAC name of 4-amino-3-N-[(2-chlorophenyl)methyl]-5-N-cycloheptyl-1,2-thiazole-3,5-dicarboxamide (CID 53331408) is 4-amino-3-N-[(2-chlorophenyl)methyl]-5-N-cycloheptyl-1,2-thiazole-3,5-dicarboxamide.
What is the SMILES notation for 4-amino-3-N-[(2-chlorophenyl)methyl]-5-N-cycloheptyl-1,2-thiazole-3,5-dicarboxamide?
The canonical SMILES for 4-amino-3-N-[(2-chlorophenyl)methyl]-5-N-cycloheptyl-1,2-thiazole-3,5-dicarboxamide is Nc1c(C(=O)NCc2ccccc2Cl)nsc1C(=O)NC1CCCCCC1.
What is the InChIKey of 4-amino-3-N-[(2-chlorophenyl)methyl]-5-N-cycloheptyl-1,2-thiazole-3,5-dicarboxamide?
The InChIKey is ARLFHNZUPWGKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O2S/c20-14-10-6-5-7-12(14)11-22-18(25)16-15(21)17(27-24-16)19(26)23-13-8-3-1-2-4-9-13/h5-7,10,13H,1-4,8-9,11,21H2,(H,22,25)(H,23,26).
What are the key properties of 4-amino-3-N-[(2-chlorophenyl)methyl]-5-N-cycloheptyl-1,2-thiazole-3,5-dicarboxamide?
4-amino-3-N-[(2-chlorophenyl)methyl]-5-N-cycloheptyl-1,2-thiazole-3,5-dicarboxamide has a molecular weight of 406.94 g/mol, XLogP of 3.76, 5 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-cycloheptyl-1,2-thiazole-3,5-dicarboxamide is sourced from PubChem (CID 53331408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).