N-(2-amino-5-pyridin-4-ylphenyl)-5-piperazin-1-yl-1,3-thiazole-2-carboxamide

C19H20N6OS — CID 134535544

IUPACN-(2-amino-5-pyridin-4-ylphenyl)-5-piperazin-1-yl-1,3-thiazole-2-carboxamide
SMILESNc1ccc(-c2ccncc2)cc1NC(=O)c1ncc(N2CCNCC2)s1
InChIInChI=1S/C19H20N6OS/c20-15-2-1-14(13-3-5-21-6-4-13)11-16(15)24-18(26)19-23-12-17(27-19)25-9-7-22-8-10-25/h1-6,11-12,22H,7-10,20H2,(H,24,26)
InChIKeyILLSVSAMCPYHLB-UHFFFAOYSA-N
MW380.48 g/mol
LogP2.45
Rot. Bonds4

About N-(2-amino-5-pyridin-4-ylphenyl)-5-piperazin-1-yl-1,3-thiazole-2-carboxamide

N-(2-amino-5-pyridin-4-ylphenyl)-5-piperazin-1-yl-1,3-thiazole-2-carboxamide (PubChem CID 134535544) has the molecular formula C19H20N6OS and a molecular weight of 380.48 g/mol. Its IUPAC name is N-(2-amino-5-pyridin-4-ylphenyl)-5-piperazin-1-yl-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-5-pyridin-4-ylphenyl)-5-piperazin-1-yl-1,3-thiazole-2-carboxamide
PubChem CID134535544
Molecular FormulaC19H20N6OS
Molecular Weight380.48 g/mol
Exact Mass380.14
IUPAC NameN-(2-amino-5-pyridin-4-ylphenyl)-5-piperazin-1-yl-1,3-thiazole-2-carboxamide
SMILESNc1ccc(-c2ccncc2)cc1NC(=O)c1ncc(N2CCNCC2)s1
InChIInChI=1S/C19H20N6OS/c20-15-2-1-14(13-3-5-21-6-4-13)11-16(15)24-18(26)19-23-12-17(27-19)25-9-7-22-8-10-25/h1-6,11-12,22H,7-10,20H2,(H,24,26)
InChIKeyILLSVSAMCPYHLB-UHFFFAOYSA-N
XLogP2.45
TPSA96.17 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.48
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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-pyridin-4-ylphenyl)-5-piperazin-1-yl-1,3-thiazole-2-carboxamide?
The IUPAC name of N-(2-amino-5-pyridin-4-ylphenyl)-5-piperazin-1-yl-1,3-thiazole-2-carboxamide (CID 134535544) is N-(2-amino-5-pyridin-4-ylphenyl)-5-piperazin-1-yl-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-(2-amino-5-pyridin-4-ylphenyl)-5-piperazin-1-yl-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-(2-amino-5-pyridin-4-ylphenyl)-5-piperazin-1-yl-1,3-thiazole-2-carboxamide is Nc1ccc(-c2ccncc2)cc1NC(=O)c1ncc(N2CCNCC2)s1.
What is the InChIKey of N-(2-amino-5-pyridin-4-ylphenyl)-5-piperazin-1-yl-1,3-thiazole-2-carboxamide?
The InChIKey is ILLSVSAMCPYHLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6OS/c20-15-2-1-14(13-3-5-21-6-4-13)11-16(15)24-18(26)19-23-12-17(27-19)25-9-7-22-8-10-25/h1-6,11-12,22H,7-10,20H2,(H,24,26).
What are the key properties of N-(2-amino-5-pyridin-4-ylphenyl)-5-piperazin-1-yl-1,3-thiazole-2-carboxamide?
N-(2-amino-5-pyridin-4-ylphenyl)-5-piperazin-1-yl-1,3-thiazole-2-carboxamide has a molecular weight of 380.48 g/mol, XLogP of 2.45, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-pyridin-4-ylphenyl)-5-piperazin-1-yl-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 134535544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).