N-[3-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-ylidene]-6-methylpyridine-3-carboxamide

C17H13Cl2N3OS — CID 18225540

IUPACN-[3-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-ylidene]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)/N=c2\sccn2Cc2ccc(Cl)cc2Cl)cn1
InChIInChI=1S/C17H13Cl2N3OS/c1-11-2-3-12(9-20-11)16(23)21-17-22(6-7-24-17)10-13-4-5-14(18)8-15(13)19/h2-9H,10H2,1H3/b21-17-
InChIKeyMUWOYUAUXHNYCC-FXBPSFAMSA-N
MW378.28 g/mol
LogP4.35
Rot. Bonds3

About N-[3-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-ylidene]-6-methylpyridine-3-carboxamide

N-[3-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-ylidene]-6-methylpyridine-3-carboxamide (PubChem CID 18225540) has the molecular formula C17H13Cl2N3OS and a molecular weight of 378.28 g/mol. Its IUPAC name is N-[3-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-ylidene]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-ylidene]-6-methylpyridine-3-carboxamide
PubChem CID18225540
Molecular FormulaC17H13Cl2N3OS
Molecular Weight378.28 g/mol
Exact Mass377.02
IUPAC NameN-[3-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-ylidene]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)/N=c2\sccn2Cc2ccc(Cl)cc2Cl)cn1
InChIInChI=1S/C17H13Cl2N3OS/c1-11-2-3-12(9-20-11)16(23)21-17-22(6-7-24-17)10-13-4-5-14(18)8-15(13)19/h2-9H,10H2,1H3/b21-17-
InChIKeyMUWOYUAUXHNYCC-FXBPSFAMSA-N
XLogP4.35
TPSA47.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.28
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-ylidene]-4-(dimethylsulfamoyl)benzamide
CID 2077694
4-(2-amino-2-oxoethoxy)-N-[3-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-ylidene]-3-methoxybenzamide
CID 38270716
6-chloro-N-[3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazol-2-ylidene]pyridine-3-carboxamide
CID 24905713
2-(4-chloro-2-fluorophenyl)-1-(6-methyl-3-pyridinyl)ethanone
CID 105135626
4-fluoro-N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]benzamide
CID 7930627
2,4-dichloro-N-[3-[[3-(pyridin-2-ylmethylcarbamoyl)phenyl]methyl]-1,3-thiazol-2-ylidene]benzamide
CID 51067332
N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 18288477
N-(3-benzyl-1,3-thiazol-2-ylidene)-3-methyl-1,2-oxazole-5-carboxamide
CID 38272852
3-methyl-N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-4-(tetrazol-1-yl)benzamide
CID 51114115
[2-[[3-[(2-chlorophenyl)methyl]-1,3-thiazol-2-ylidene]amino]-2-oxoethyl] pyridine-3-carboxylate
CID 9414135
N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-3,5-dinitrobenzamide
CID 27676586
N-[3-[(2-fluorophenyl)methyl]-1,3-thiazol-2-ylidene]-4-(4-hydroxypiperidin-1-yl)benzamide
CID 86974498

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-ylidene]-6-methylpyridine-3-carboxamide?
The IUPAC name of N-[3-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-ylidene]-6-methylpyridine-3-carboxamide (CID 18225540) is N-[3-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-ylidene]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[3-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-ylidene]-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-[3-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-ylidene]-6-methylpyridine-3-carboxamide is Cc1ccc(C(=O)/N=c2\sccn2Cc2ccc(Cl)cc2Cl)cn1.
What is the InChIKey of N-[3-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-ylidene]-6-methylpyridine-3-carboxamide?
The InChIKey is MUWOYUAUXHNYCC-FXBPSFAMSA-N. The full InChI is InChI=1S/C17H13Cl2N3OS/c1-11-2-3-12(9-20-11)16(23)21-17-22(6-7-24-17)10-13-4-5-14(18)8-15(13)19/h2-9H,10H2,1H3/b21-17-.
What are the key properties of N-[3-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-ylidene]-6-methylpyridine-3-carboxamide?
N-[3-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-ylidene]-6-methylpyridine-3-carboxamide has a molecular weight of 378.28 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-ylidene]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 18225540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).