N-(2-amino-5-phenylphenyl)-5-piperazin-1-yl-1,3-thiazole-2-carboxamide

C20H21N5OS — CID 134535567

IUPACN-(2-amino-5-phenylphenyl)-5-piperazin-1-yl-1,3-thiazole-2-carboxamide
SMILESNc1ccc(-c2ccccc2)cc1NC(=O)c1ncc(N2CCNCC2)s1
InChIInChI=1S/C20H21N5OS/c21-16-7-6-15(14-4-2-1-3-5-14)12-17(16)24-19(26)20-23-13-18(27-20)25-10-8-22-9-11-25/h1-7,12-13,22H,8-11,21H2,(H,24,26)
InChIKeyWSQZIVOVTJKZNB-UHFFFAOYSA-N
MW379.49 g/mol
LogP3.05
Rot. Bonds4

About N-(2-amino-5-phenylphenyl)-5-piperazin-1-yl-1,3-thiazole-2-carboxamide

N-(2-amino-5-phenylphenyl)-5-piperazin-1-yl-1,3-thiazole-2-carboxamide (PubChem CID 134535567) has the molecular formula C20H21N5OS and a molecular weight of 379.49 g/mol. Its IUPAC name is N-(2-amino-5-phenylphenyl)-5-piperazin-1-yl-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-5-phenylphenyl)-5-piperazin-1-yl-1,3-thiazole-2-carboxamide
PubChem CID134535567
Molecular FormulaC20H21N5OS
Molecular Weight379.49 g/mol
Exact Mass379.15
IUPAC NameN-(2-amino-5-phenylphenyl)-5-piperazin-1-yl-1,3-thiazole-2-carboxamide
SMILESNc1ccc(-c2ccccc2)cc1NC(=O)c1ncc(N2CCNCC2)s1
InChIInChI=1S/C20H21N5OS/c21-16-7-6-15(14-4-2-1-3-5-14)12-17(16)24-19(26)20-23-13-18(27-20)25-10-8-22-9-11-25/h1-7,12-13,22H,8-11,21H2,(H,24,26)
InChIKeyWSQZIVOVTJKZNB-UHFFFAOYSA-N
XLogP3.05
TPSA83.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 53.05
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-phenylphenyl)-5-piperazin-1-yl-1,3-thiazole-2-carboxamide?
The IUPAC name of N-(2-amino-5-phenylphenyl)-5-piperazin-1-yl-1,3-thiazole-2-carboxamide (CID 134535567) is N-(2-amino-5-phenylphenyl)-5-piperazin-1-yl-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-(2-amino-5-phenylphenyl)-5-piperazin-1-yl-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-(2-amino-5-phenylphenyl)-5-piperazin-1-yl-1,3-thiazole-2-carboxamide is Nc1ccc(-c2ccccc2)cc1NC(=O)c1ncc(N2CCNCC2)s1.
What is the InChIKey of N-(2-amino-5-phenylphenyl)-5-piperazin-1-yl-1,3-thiazole-2-carboxamide?
The InChIKey is WSQZIVOVTJKZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5OS/c21-16-7-6-15(14-4-2-1-3-5-14)12-17(16)24-19(26)20-23-13-18(27-20)25-10-8-22-9-11-25/h1-7,12-13,22H,8-11,21H2,(H,24,26).
What are the key properties of N-(2-amino-5-phenylphenyl)-5-piperazin-1-yl-1,3-thiazole-2-carboxamide?
N-(2-amino-5-phenylphenyl)-5-piperazin-1-yl-1,3-thiazole-2-carboxamide has a molecular weight of 379.49 g/mol, XLogP of 3.05, 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-phenylphenyl)-5-piperazin-1-yl-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 134535567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).