N-[2-amino-5-(4-fluorophenyl)phenyl]-5-piperazin-1-yl-1,3-thiazole-2-carboxamide

C20H20FN5OS — CID 134535381

IUPACN-[2-amino-5-(4-fluorophenyl)phenyl]-5-piperazin-1-yl-1,3-thiazole-2-carboxamide
SMILESNc1ccc(-c2ccc(F)cc2)cc1NC(=O)c1ncc(N2CCNCC2)s1
InChIInChI=1S/C20H20FN5OS/c21-15-4-1-13(2-5-15)14-3-6-16(22)17(11-14)25-19(27)20-24-12-18(28-20)26-9-7-23-8-10-26/h1-6,11-12,23H,7-10,22H2,(H,25,27)
InChIKeyUDTRIAUKGPKOSZ-UHFFFAOYSA-N
MW397.48 g/mol
LogP3.19
Rot. Bonds4

About N-[2-amino-5-(4-fluorophenyl)phenyl]-5-piperazin-1-yl-1,3-thiazole-2-carboxamide

N-[2-amino-5-(4-fluorophenyl)phenyl]-5-piperazin-1-yl-1,3-thiazole-2-carboxamide (PubChem CID 134535381) has the molecular formula C20H20FN5OS and a molecular weight of 397.48 g/mol. Its IUPAC name is N-[2-amino-5-(4-fluorophenyl)phenyl]-5-piperazin-1-yl-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-[2-amino-5-(4-fluorophenyl)phenyl]-5-piperazin-1-yl-1,3-thiazole-2-carboxamide
PubChem CID134535381
Molecular FormulaC20H20FN5OS
Molecular Weight397.48 g/mol
Exact Mass397.14
IUPAC NameN-[2-amino-5-(4-fluorophenyl)phenyl]-5-piperazin-1-yl-1,3-thiazole-2-carboxamide
SMILESNc1ccc(-c2ccc(F)cc2)cc1NC(=O)c1ncc(N2CCNCC2)s1
InChIInChI=1S/C20H20FN5OS/c21-15-4-1-13(2-5-15)14-3-6-16(22)17(11-14)25-19(27)20-24-12-18(28-20)26-9-7-23-8-10-26/h1-6,11-12,23H,7-10,22H2,(H,25,27)
InChIKeyUDTRIAUKGPKOSZ-UHFFFAOYSA-N
XLogP3.19
TPSA83.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-amino-5-(4-fluorophenyl)phenyl]-5-piperazin-1-yl-1,3-thiazole-2-carboxamide?
The IUPAC name of N-[2-amino-5-(4-fluorophenyl)phenyl]-5-piperazin-1-yl-1,3-thiazole-2-carboxamide (CID 134535381) is N-[2-amino-5-(4-fluorophenyl)phenyl]-5-piperazin-1-yl-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-[2-amino-5-(4-fluorophenyl)phenyl]-5-piperazin-1-yl-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-[2-amino-5-(4-fluorophenyl)phenyl]-5-piperazin-1-yl-1,3-thiazole-2-carboxamide is Nc1ccc(-c2ccc(F)cc2)cc1NC(=O)c1ncc(N2CCNCC2)s1.
What is the InChIKey of N-[2-amino-5-(4-fluorophenyl)phenyl]-5-piperazin-1-yl-1,3-thiazole-2-carboxamide?
The InChIKey is UDTRIAUKGPKOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5OS/c21-15-4-1-13(2-5-15)14-3-6-16(22)17(11-14)25-19(27)20-24-12-18(28-20)26-9-7-23-8-10-26/h1-6,11-12,23H,7-10,22H2,(H,25,27).
What are the key properties of N-[2-amino-5-(4-fluorophenyl)phenyl]-5-piperazin-1-yl-1,3-thiazole-2-carboxamide?
N-[2-amino-5-(4-fluorophenyl)phenyl]-5-piperazin-1-yl-1,3-thiazole-2-carboxamide has a molecular weight of 397.48 g/mol, XLogP of 3.19, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-5-(4-fluorophenyl)phenyl]-5-piperazin-1-yl-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 134535381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).