N-(3-chloro-4-morpholin-4-ylphenyl)-2-pyridin-3-yl-1,3-thiazole-4-carboxamide

C19H17ClN4O2S — CID 3861858

IUPACN-(3-chloro-4-morpholin-4-ylphenyl)-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)c(Cl)c1)c1csc(-c2cccnc2)n1
InChIInChI=1S/C19H17ClN4O2S/c20-15-10-14(3-4-17(15)24-6-8-26-9-7-24)22-18(25)16-12-27-19(23-16)13-2-1-5-21-11-13/h1-5,10-12H,6-9H2,(H,22,25)
InChIKeyCXQIFASVPMYDSY-UHFFFAOYSA-N
MW400.89 g/mol
LogP3.95
Rot. Bonds4

About N-(3-chloro-4-morpholin-4-ylphenyl)-2-pyridin-3-yl-1,3-thiazole-4-carboxamide

N-(3-chloro-4-morpholin-4-ylphenyl)-2-pyridin-3-yl-1,3-thiazole-4-carboxamide (PubChem CID 3861858) has the molecular formula C19H17ClN4O2S and a molecular weight of 400.89 g/mol. Its IUPAC name is N-(3-chloro-4-morpholin-4-ylphenyl)-2-pyridin-3-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-morpholin-4-ylphenyl)-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
PubChem CID3861858
Molecular FormulaC19H17ClN4O2S
Molecular Weight400.89 g/mol
Exact Mass400.08
IUPAC NameN-(3-chloro-4-morpholin-4-ylphenyl)-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)c(Cl)c1)c1csc(-c2cccnc2)n1
InChIInChI=1S/C19H17ClN4O2S/c20-15-10-14(3-4-17(15)24-6-8-26-9-7-24)22-18(25)16-12-27-19(23-16)13-2-1-5-21-11-13/h1-5,10-12H,6-9H2,(H,22,25)
InChIKeyCXQIFASVPMYDSY-UHFFFAOYSA-N
XLogP3.95
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.89
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(3-chloro-4-morpholin-4-ylphenyl)-2-pyridin-3-yl-1,3-thiazole-4-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

morpholin-4-yl-(2-pyridin-3-yl-1,3-thiazol-4-yl)methanone
CID 23467920
N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 46520819
N-(2,3-dichlorophenyl)-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 110651203
N-(3,4-dimethylphenyl)-2-(6-morpholin-4-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 53145815
N-(5H-chromeno[3,4-c]pyridin-8-yl)-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 121363922
N-[5-amino-2-[4-(aminomethyl)piperidin-1-yl]phenyl]-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 56967516
4-chloro-N-(2-morpholin-4-ylphenyl)-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 71111886
N-(4-fluorophenyl)-2-(2-morpholin-4-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide
CID 53119213
N-(5-chloro-2-methylphenyl)-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 110650067
N-hydroxy-2-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 604917
5-bromo-N-(3-chloro-4-morpholin-4-ylphenyl)pyridine-3-carboxamide
CID 1227119
N-(3-chloro-4-morpholin-4-ylphenyl)-3-morpholin-4-ylquinoxaline-2-carboxamide
CID 46249483

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-morpholin-4-ylphenyl)-2-pyridin-3-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(3-chloro-4-morpholin-4-ylphenyl)-2-pyridin-3-yl-1,3-thiazole-4-carboxamide (CID 3861858) is N-(3-chloro-4-morpholin-4-ylphenyl)-2-pyridin-3-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-morpholin-4-ylphenyl)-2-pyridin-3-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-morpholin-4-ylphenyl)-2-pyridin-3-yl-1,3-thiazole-4-carboxamide is O=C(Nc1ccc(N2CCOCC2)c(Cl)c1)c1csc(-c2cccnc2)n1.
What is the InChIKey of N-(3-chloro-4-morpholin-4-ylphenyl)-2-pyridin-3-yl-1,3-thiazole-4-carboxamide?
The InChIKey is CXQIFASVPMYDSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O2S/c20-15-10-14(3-4-17(15)24-6-8-26-9-7-24)22-18(25)16-12-27-19(23-16)13-2-1-5-21-11-13/h1-5,10-12H,6-9H2,(H,22,25).
What are the key properties of N-(3-chloro-4-morpholin-4-ylphenyl)-2-pyridin-3-yl-1,3-thiazole-4-carboxamide?
N-(3-chloro-4-morpholin-4-ylphenyl)-2-pyridin-3-yl-1,3-thiazole-4-carboxamide has a molecular weight of 400.89 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-morpholin-4-ylphenyl)-2-pyridin-3-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 3861858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).