4-amino-5-N-[2-(cyclopentylamino)-2-oxoethyl]-5-N-[3-(trifluoromethyl)phenyl]-1,2-thiazole-3,5-dicarboxamide

C19H20F3N5O3S — CID 3179757

IUPAC4-amino-5-N-[2-(cyclopentylamino)-2-oxoethyl]-5-N-[3-(trifluoromethyl)phenyl]-1,2-thiazole-3,5-dicarboxamide
SMILESNC(=O)c1nsc(C(=O)N(CC(=O)NC2CCCC2)c2cccc(C(F)(F)F)c2)c1N
InChIInChI=1S/C19H20F3N5O3S/c20-19(21,22)10-4-3-7-12(8-10)27(9-13(28)25-11-5-1-2-6-11)18(30)16-14(23)15(17(24)29)26-31-16/h3-4,7-8,11H,1-2,5-6,9,23H2,(H2,24,29)(H,25,28)
InChIKeyLDORTFOWWPNCSH-UHFFFAOYSA-N
MW455.46 g/mol
LogP2.55
Rot. Bonds6

About 4-amino-5-N-[2-(cyclopentylamino)-2-oxoethyl]-5-N-[3-(trifluoromethyl)phenyl]-1,2-thiazole-3,5-dicarboxamide

4-amino-5-N-[2-(cyclopentylamino)-2-oxoethyl]-5-N-[3-(trifluoromethyl)phenyl]-1,2-thiazole-3,5-dicarboxamide (PubChem CID 3179757) has the molecular formula C19H20F3N5O3S and a molecular weight of 455.46 g/mol. Its IUPAC name is 4-amino-5-N-[2-(cyclopentylamino)-2-oxoethyl]-5-N-[3-(trifluoromethyl)phenyl]-1,2-thiazole-3,5-dicarboxamide.

Molecular Properties

Compound Name4-amino-5-N-[2-(cyclopentylamino)-2-oxoethyl]-5-N-[3-(trifluoromethyl)phenyl]-1,2-thiazole-3,5-dicarboxamide
PubChem CID3179757
Molecular FormulaC19H20F3N5O3S
Molecular Weight455.46 g/mol
Exact Mass455.12
IUPAC Name4-amino-5-N-[2-(cyclopentylamino)-2-oxoethyl]-5-N-[3-(trifluoromethyl)phenyl]-1,2-thiazole-3,5-dicarboxamide
SMILESNC(=O)c1nsc(C(=O)N(CC(=O)NC2CCCC2)c2cccc(C(F)(F)F)c2)c1N
InChIInChI=1S/C19H20F3N5O3S/c20-19(21,22)10-4-3-7-12(8-10)27(9-13(28)25-11-5-1-2-6-11)18(30)16-14(23)15(17(24)29)26-31-16/h3-4,7-8,11H,1-2,5-6,9,23H2,(H2,24,29)(H,25,28)
InChIKeyLDORTFOWWPNCSH-UHFFFAOYSA-N
XLogP2.55
TPSA131.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.46
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-amino-5-N-[2-(cyclopentylamino)-2-oxoethyl]-5-N-[3-(trifluoromethyl)phenyl]-1,2-thiazole-3,5-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-N-[2-(cyclopentylamino)-2-oxoethyl]-5-N-[3-(trifluoromethyl)phenyl]-1,2-thiazole-3,5-dicarboxamide?
The IUPAC name of 4-amino-5-N-[2-(cyclopentylamino)-2-oxoethyl]-5-N-[3-(trifluoromethyl)phenyl]-1,2-thiazole-3,5-dicarboxamide (CID 3179757) is 4-amino-5-N-[2-(cyclopentylamino)-2-oxoethyl]-5-N-[3-(trifluoromethyl)phenyl]-1,2-thiazole-3,5-dicarboxamide.
What is the SMILES notation for 4-amino-5-N-[2-(cyclopentylamino)-2-oxoethyl]-5-N-[3-(trifluoromethyl)phenyl]-1,2-thiazole-3,5-dicarboxamide?
The canonical SMILES for 4-amino-5-N-[2-(cyclopentylamino)-2-oxoethyl]-5-N-[3-(trifluoromethyl)phenyl]-1,2-thiazole-3,5-dicarboxamide is NC(=O)c1nsc(C(=O)N(CC(=O)NC2CCCC2)c2cccc(C(F)(F)F)c2)c1N.
What is the InChIKey of 4-amino-5-N-[2-(cyclopentylamino)-2-oxoethyl]-5-N-[3-(trifluoromethyl)phenyl]-1,2-thiazole-3,5-dicarboxamide?
The InChIKey is LDORTFOWWPNCSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N5O3S/c20-19(21,22)10-4-3-7-12(8-10)27(9-13(28)25-11-5-1-2-6-11)18(30)16-14(23)15(17(24)29)26-31-16/h3-4,7-8,11H,1-2,5-6,9,23H2,(H2,24,29)(H,25,28).
What are the key properties of 4-amino-5-N-[2-(cyclopentylamino)-2-oxoethyl]-5-N-[3-(trifluoromethyl)phenyl]-1,2-thiazole-3,5-dicarboxamide?
4-amino-5-N-[2-(cyclopentylamino)-2-oxoethyl]-5-N-[3-(trifluoromethyl)phenyl]-1,2-thiazole-3,5-dicarboxamide has a molecular weight of 455.46 g/mol, XLogP of 2.55, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-N-[2-(cyclopentylamino)-2-oxoethyl]-5-N-[3-(trifluoromethyl)phenyl]-1,2-thiazole-3,5-dicarboxamide is sourced from PubChem (CID 3179757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).