N-(4-morpholin-4-ylphenyl)-2-(pyridin-4-ylamino)-1,3-thiazole-5-carboxamide

C19H19N5O2S — CID 117084517

IUPACN-(4-morpholin-4-ylphenyl)-2-(pyridin-4-ylamino)-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)cc1)c1cnc(Nc2ccncc2)s1
InChIInChI=1S/C19H19N5O2S/c25-18(17-13-21-19(27-17)23-15-5-7-20-8-6-15)22-14-1-3-16(4-2-14)24-9-11-26-12-10-24/h1-8,13H,9-12H2,(H,22,25)(H,20,21,23)
InChIKeyOMECEVWJDVTZFR-UHFFFAOYSA-N
MW381.46 g/mol
LogP3.37
Rot. Bonds5

About N-(4-morpholin-4-ylphenyl)-2-(pyridin-4-ylamino)-1,3-thiazole-5-carboxamide

N-(4-morpholin-4-ylphenyl)-2-(pyridin-4-ylamino)-1,3-thiazole-5-carboxamide (PubChem CID 117084517) has the molecular formula C19H19N5O2S and a molecular weight of 381.46 g/mol. Its IUPAC name is N-(4-morpholin-4-ylphenyl)-2-(pyridin-4-ylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-morpholin-4-ylphenyl)-2-(pyridin-4-ylamino)-1,3-thiazole-5-carboxamide
PubChem CID117084517
Molecular FormulaC19H19N5O2S
Molecular Weight381.46 g/mol
Exact Mass381.13
IUPAC NameN-(4-morpholin-4-ylphenyl)-2-(pyridin-4-ylamino)-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)cc1)c1cnc(Nc2ccncc2)s1
InChIInChI=1S/C19H19N5O2S/c25-18(17-13-21-19(27-17)23-15-5-7-20-8-6-15)22-14-1-3-16(4-2-14)24-9-11-26-12-10-24/h1-8,13H,9-12H2,(H,22,25)(H,20,21,23)
InChIKeyOMECEVWJDVTZFR-UHFFFAOYSA-N
XLogP3.37
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N-(4-morpholin-4-ylphenyl)-2-(pyridin-4-ylamino)-1,3-thiazole-5-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

2-(methylamino)-N-(4-morpholin-4-ylphenyl)-1,3-thiazole-5-carboxamide
CID 75435971
2-(4-morpholin-4-ylanilino)-1,3-thiazole-5-carboxylic acid
CID 80571818
4-morpholin-4-yl-N-[4-[4-[(4-morpholin-4-ylbenzoyl)amino]anilino]phenyl]benzamide
CID 67686927
5-methyl-N-(4-morpholin-4-ylphenyl)thiophene-2-carboxamide
CID 8961115
2-[4-(4-methylpiperazine-1-carbonyl)phenyl]-N-(4-morpholin-4-ylphenyl)-1,3-thiazole-5-carboxamide
CID 117085734
N-(2-chloro-6-methylphenyl)-2-(3-methylsulfonyl-5-morpholin-4-ylanilino)-1,3-thiazole-5-carboxamide
CID 127053595
N-(4-morpholin-4-ylphenyl)-5-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 155288065
1-(4-morpholin-4-ylphenyl)-3-pyrazin-2-ylurea
CID 110492464
2-amino-N-(4-morpholin-4-ylphenyl)pyridine-3-carboxamide
CID 82545859
5-bromo-N-(4-morpholin-4-ylphenyl)-1,3,4-thiadiazol-2-amine
CID 64624123
N-[4-[4-[(4-morpholin-4-ylbenzoyl)amino]anilino]phenyl]-4-piperazin-1-ylbenzamide
CID 67112495
(5S)-5-methyl-N-(4-morpholin-4-ylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 2526469

Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-ylphenyl)-2-(pyridin-4-ylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(4-morpholin-4-ylphenyl)-2-(pyridin-4-ylamino)-1,3-thiazole-5-carboxamide (CID 117084517) is N-(4-morpholin-4-ylphenyl)-2-(pyridin-4-ylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(4-morpholin-4-ylphenyl)-2-(pyridin-4-ylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(4-morpholin-4-ylphenyl)-2-(pyridin-4-ylamino)-1,3-thiazole-5-carboxamide is O=C(Nc1ccc(N2CCOCC2)cc1)c1cnc(Nc2ccncc2)s1.
What is the InChIKey of N-(4-morpholin-4-ylphenyl)-2-(pyridin-4-ylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is OMECEVWJDVTZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2S/c25-18(17-13-21-19(27-17)23-15-5-7-20-8-6-15)22-14-1-3-16(4-2-14)24-9-11-26-12-10-24/h1-8,13H,9-12H2,(H,22,25)(H,20,21,23).
What are the key properties of N-(4-morpholin-4-ylphenyl)-2-(pyridin-4-ylamino)-1,3-thiazole-5-carboxamide?
N-(4-morpholin-4-ylphenyl)-2-(pyridin-4-ylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 381.46 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-ylphenyl)-2-(pyridin-4-ylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 117084517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).