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

C19H16ClFN4O2S — CID 53331410

IUPAC4-amino-3-N-[(2-chlorophenyl)methyl]-5-N-[(2-fluorophenyl)methyl]-1,2-thiazole-3,5-dicarboxamide
SMILESNc1c(C(=O)NCc2ccccc2Cl)nsc1C(=O)NCc1ccccc1F
InChIInChI=1S/C19H16ClFN4O2S/c20-13-7-3-1-5-11(13)9-23-18(26)16-15(22)17(28-25-16)19(27)24-10-12-6-2-4-8-14(12)21/h1-8H,9-10,22H2,(H,23,26)(H,24,27)
InChIKeyGTPACXPGNWOBCX-UHFFFAOYSA-N
MW418.88 g/mol
LogP3.38
Rot. Bonds6

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

4-amino-3-N-[(2-chlorophenyl)methyl]-5-N-[(2-fluorophenyl)methyl]-1,2-thiazole-3,5-dicarboxamide (PubChem CID 53331410) has the molecular formula C19H16ClFN4O2S and a molecular weight of 418.88 g/mol. Its IUPAC name is 4-amino-3-N-[(2-chlorophenyl)methyl]-5-N-[(2-fluorophenyl)methyl]-1,2-thiazole-3,5-dicarboxamide.

Molecular Properties

Compound Name4-amino-3-N-[(2-chlorophenyl)methyl]-5-N-[(2-fluorophenyl)methyl]-1,2-thiazole-3,5-dicarboxamide
PubChem CID53331410
Molecular FormulaC19H16ClFN4O2S
Molecular Weight418.88 g/mol
Exact Mass418.07
IUPAC Name4-amino-3-N-[(2-chlorophenyl)methyl]-5-N-[(2-fluorophenyl)methyl]-1,2-thiazole-3,5-dicarboxamide
SMILESNc1c(C(=O)NCc2ccccc2Cl)nsc1C(=O)NCc1ccccc1F
InChIInChI=1S/C19H16ClFN4O2S/c20-13-7-3-1-5-11(13)9-23-18(26)16-15(22)17(28-25-16)19(27)24-10-12-6-2-4-8-14(12)21/h1-8H,9-10,22H2,(H,23,26)(H,24,27)
InChIKeyGTPACXPGNWOBCX-UHFFFAOYSA-N
XLogP3.38
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.88
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-3-N-(cyclopropylmethyl)-5-N-[(2-fluorophenyl)methyl]-1,2-thiazole-3,5-dicarboxamide
CID 53335804
4-amino-3-N-[(2-chlorophenyl)methyl]-5-N-[(4-methoxyphenyl)methyl]-1,2-thiazole-3,5-dicarboxamide
CID 53331405
4-amino-N-[(2-fluorophenyl)methyl]-3-(pyrrolidine-1-carbonyl)-1,2-thiazole-5-carboxamide
CID 52905826
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-cycloheptyl-1,2-thiazole-3,5-dicarboxamide
CID 53331408
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-N-[(2-fluorophenyl)methyl]-3-pyridin-2-yl-1,2-thiazole-5-carboxamide
CID 53141228
4-amino-3-N-butyl-3-N-(butylcarbamoyl)-5-N-[(2-chlorophenyl)methyl]-1,2-thiazole-3,5-dicarboxamide
CID 68792041
2-chloro-N-[(2-fluorophenyl)methyl]benzamide
CID 5082380
4-amino-N-[(2-fluorophenyl)methyl]-3-(3-methoxyphenyl)-1,2-thiazole-5-carboxamide
CID 53335741

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-N-[(2-chlorophenyl)methyl]-5-N-[(2-fluorophenyl)methyl]-1,2-thiazole-3,5-dicarboxamide?
The IUPAC name of 4-amino-3-N-[(2-chlorophenyl)methyl]-5-N-[(2-fluorophenyl)methyl]-1,2-thiazole-3,5-dicarboxamide (CID 53331410) is 4-amino-3-N-[(2-chlorophenyl)methyl]-5-N-[(2-fluorophenyl)methyl]-1,2-thiazole-3,5-dicarboxamide.
What is the SMILES notation for 4-amino-3-N-[(2-chlorophenyl)methyl]-5-N-[(2-fluorophenyl)methyl]-1,2-thiazole-3,5-dicarboxamide?
The canonical SMILES for 4-amino-3-N-[(2-chlorophenyl)methyl]-5-N-[(2-fluorophenyl)methyl]-1,2-thiazole-3,5-dicarboxamide is Nc1c(C(=O)NCc2ccccc2Cl)nsc1C(=O)NCc1ccccc1F.
What is the InChIKey of 4-amino-3-N-[(2-chlorophenyl)methyl]-5-N-[(2-fluorophenyl)methyl]-1,2-thiazole-3,5-dicarboxamide?
The InChIKey is GTPACXPGNWOBCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN4O2S/c20-13-7-3-1-5-11(13)9-23-18(26)16-15(22)17(28-25-16)19(27)24-10-12-6-2-4-8-14(12)21/h1-8H,9-10,22H2,(H,23,26)(H,24,27).
What are the key properties of 4-amino-3-N-[(2-chlorophenyl)methyl]-5-N-[(2-fluorophenyl)methyl]-1,2-thiazole-3,5-dicarboxamide?
4-amino-3-N-[(2-chlorophenyl)methyl]-5-N-[(2-fluorophenyl)methyl]-1,2-thiazole-3,5-dicarboxamide has a molecular weight of 418.88 g/mol, XLogP of 3.38, 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-[(2-fluorophenyl)methyl]-1,2-thiazole-3,5-dicarboxamide is sourced from PubChem (CID 53331410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).