2,4-dichloro-N-[2-oxo-2-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methylamino]ethyl]benzamide

C18H14Cl2N4O2S — CID 108771045

IUPAC2,4-dichloro-N-[2-oxo-2-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methylamino]ethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(Cl)cc1Cl)NCc1csc(-c2ccncc2)n1
InChIInChI=1S/C18H14Cl2N4O2S/c19-12-1-2-14(15(20)7-12)17(26)23-9-16(25)22-8-13-10-27-18(24-13)11-3-5-21-6-4-11/h1-7,10H,8-9H2,(H,22,25)(H,23,26)
InChIKeyPOUKAYKHWYHSFC-UHFFFAOYSA-N
MW421.31 g/mol
LogP3.56
Rot. Bonds6

About 2,4-dichloro-N-[2-oxo-2-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methylamino]ethyl]benzamide

2,4-dichloro-N-[2-oxo-2-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methylamino]ethyl]benzamide (PubChem CID 108771045) has the molecular formula C18H14Cl2N4O2S and a molecular weight of 421.31 g/mol. Its IUPAC name is 2,4-dichloro-N-[2-oxo-2-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methylamino]ethyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[2-oxo-2-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methylamino]ethyl]benzamide
PubChem CID108771045
Molecular FormulaC18H14Cl2N4O2S
Molecular Weight421.31 g/mol
Exact Mass420.02
IUPAC Name2,4-dichloro-N-[2-oxo-2-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methylamino]ethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(Cl)cc1Cl)NCc1csc(-c2ccncc2)n1
InChIInChI=1S/C18H14Cl2N4O2S/c19-12-1-2-14(15(20)7-12)17(26)23-9-16(25)22-8-13-10-27-18(24-13)11-3-5-21-6-4-11/h1-7,10H,8-9H2,(H,22,25)(H,23,26)
InChIKeyPOUKAYKHWYHSFC-UHFFFAOYSA-N
XLogP3.56
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.31
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2,4-dichloro-N-[2-oxo-2-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methylamino]ethyl]benzamide 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

2,4-dichloro-N-[2-oxo-2-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methylamino]ethyl]benzamide
CID 108762330
3-(4-chlorophenyl)-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]propanamide
CID 108749175
2,4-dichloro-N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 7518421
4-chloro-N-[2-oxo-2-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methylamino]ethyl]benzamide
CID 108770883
2,4-dichloro-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]benzamide
CID 95324628
2-naphthalen-1-yl-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 108749285
2,4-dichloro-N-[2-oxo-2-[[4-(piperidin-1-ylmethyl)phenyl]methylamino]ethyl]benzamide
CID 27168075
3-(2-chlorophenoxy)-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]propanamide
CID 108811093
2,4-dichloro-N-[2-[(4-cyclopropyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide
CID 32866960
2,4-dichloro-N-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]benzamide
CID 9047368
2,4-dichloro-N-[[4-(1,3-thiazol-2-yl)phenyl]methyl]benzamide
CID 54774048
2-bromo-3,4,5-trimethoxy-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]benzamide
CID 108771056

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[2-oxo-2-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methylamino]ethyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[2-oxo-2-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methylamino]ethyl]benzamide (CID 108771045) is 2,4-dichloro-N-[2-oxo-2-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methylamino]ethyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[2-oxo-2-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methylamino]ethyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[2-oxo-2-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methylamino]ethyl]benzamide is O=C(CNC(=O)c1ccc(Cl)cc1Cl)NCc1csc(-c2ccncc2)n1.
What is the InChIKey of 2,4-dichloro-N-[2-oxo-2-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methylamino]ethyl]benzamide?
The InChIKey is POUKAYKHWYHSFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N4O2S/c19-12-1-2-14(15(20)7-12)17(26)23-9-16(25)22-8-13-10-27-18(24-13)11-3-5-21-6-4-11/h1-7,10H,8-9H2,(H,22,25)(H,23,26).
What are the key properties of 2,4-dichloro-N-[2-oxo-2-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methylamino]ethyl]benzamide?
2,4-dichloro-N-[2-oxo-2-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methylamino]ethyl]benzamide has a molecular weight of 421.31 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[2-oxo-2-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methylamino]ethyl]benzamide is sourced from PubChem (CID 108771045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).