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

C19H20N6OS — CID 134535398

IUPACN-(2-amino-5-pyridin-4-ylphenyl)-2-piperazin-1-yl-1,3-thiazole-5-carboxamide
SMILESNc1ccc(-c2ccncc2)cc1NC(=O)c1cnc(N2CCNCC2)s1
InChIInChI=1S/C19H20N6OS/c20-15-2-1-14(13-3-5-21-6-4-13)11-16(15)24-18(26)17-12-23-19(27-17)25-9-7-22-8-10-25/h1-6,11-12,22H,7-10,20H2,(H,24,26)
InChIKeyZTRWHUJIONDEEE-UHFFFAOYSA-N
MW380.48 g/mol
LogP2.45
Rot. Bonds4

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

N-(2-amino-5-pyridin-4-ylphenyl)-2-piperazin-1-yl-1,3-thiazole-5-carboxamide (PubChem CID 134535398) 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)-2-piperazin-1-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-amino-5-pyridin-4-ylphenyl)-2-piperazin-1-yl-1,3-thiazole-5-carboxamide
PubChem CID134535398
Molecular FormulaC19H20N6OS
Molecular Weight380.48 g/mol
Exact Mass380.14
IUPAC NameN-(2-amino-5-pyridin-4-ylphenyl)-2-piperazin-1-yl-1,3-thiazole-5-carboxamide
SMILESNc1ccc(-c2ccncc2)cc1NC(=O)c1cnc(N2CCNCC2)s1
InChIInChI=1S/C19H20N6OS/c20-15-2-1-14(13-3-5-21-6-4-13)11-16(15)24-18(26)17-12-23-19(27-17)25-9-7-22-8-10-25/h1-6,11-12,22H,7-10,20H2,(H,24,26)
InChIKeyZTRWHUJIONDEEE-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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Related Compounds

N-(2-amino-5-thiophen-2-ylphenyl)-2-(4-methylpiperazin-1-yl)-1,3-thiazole-5-carboxamide
CID 134535394
N-(2-amino-5-phenylphenyl)-2-piperazin-1-yl-1,3-oxazole-5-carboxamide
CID 134535543
N-methyl-2-piperazin-1-yl-1,3-thiazole-5-carboxamide
CID 83579539
N-(2-amino-5-thiophen-2-ylphenyl)-6-piperazin-1-ylpyridine-3-carboxamide
CID 134535362
N-(2-amino-5-pyridin-4-ylphenyl)-4-methylsulfanylbenzamide
CID 168913976
N-(2-amino-5-pyridin-4-ylphenyl)-3-fluorocyclobutane-1-carboxamide
CID 89158267
N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-4-piperazin-1-ylbenzamide
CID 58692652
2,2,2-trifluoro-1-(2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone
CID 141447757
N-(2-amino-5-pyridin-4-ylphenyl)isoindole-2-carboxamide
CID 89158329
tert-butyl N-[2-[(4-piperazin-1-yl-1,3-thiazole-2-carbonyl)amino]-4-pyridin-4-ylphenyl]carbamate
CID 174967260
N-(2-amino-5-pyridin-4-ylphenyl)-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide
CID 89183237
N-(1,5-dimethylpyrazol-4-yl)-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
CID 166217040

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-pyridin-4-ylphenyl)-2-piperazin-1-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2-amino-5-pyridin-4-ylphenyl)-2-piperazin-1-yl-1,3-thiazole-5-carboxamide (CID 134535398) is N-(2-amino-5-pyridin-4-ylphenyl)-2-piperazin-1-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2-amino-5-pyridin-4-ylphenyl)-2-piperazin-1-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2-amino-5-pyridin-4-ylphenyl)-2-piperazin-1-yl-1,3-thiazole-5-carboxamide is Nc1ccc(-c2ccncc2)cc1NC(=O)c1cnc(N2CCNCC2)s1.
What is the InChIKey of N-(2-amino-5-pyridin-4-ylphenyl)-2-piperazin-1-yl-1,3-thiazole-5-carboxamide?
The InChIKey is ZTRWHUJIONDEEE-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)17-12-23-19(27-17)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)-2-piperazin-1-yl-1,3-thiazole-5-carboxamide?
N-(2-amino-5-pyridin-4-ylphenyl)-2-piperazin-1-yl-1,3-thiazole-5-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)-2-piperazin-1-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 134535398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).