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

C17H13Cl2N3OS — CID 42764139

IUPAC2,4-dichloro-N-[3-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]benzamide
SMILESCNc1nc(-c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)cs1
InChIInChI=1S/C17H13Cl2N3OS/c1-20-17-22-15(9-24-17)10-3-2-4-12(7-10)21-16(23)13-6-5-11(18)8-14(13)19/h2-9H,1H3,(H,20,22)(H,21,23)
InChIKeyZZSLBSOHOYZMPR-UHFFFAOYSA-N
MW378.28 g/mol
LogP5.41
Rot. Bonds4

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

2,4-dichloro-N-[3-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]benzamide (PubChem CID 42764139) has the molecular formula C17H13Cl2N3OS and a molecular weight of 378.28 g/mol. Its IUPAC name is 2,4-dichloro-N-[3-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[3-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]benzamide
PubChem CID42764139
Molecular FormulaC17H13Cl2N3OS
Molecular Weight378.28 g/mol
Exact Mass377.02
IUPAC Name2,4-dichloro-N-[3-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]benzamide
SMILESCNc1nc(-c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)cs1
InChIInChI=1S/C17H13Cl2N3OS/c1-20-17-22-15(9-24-17)10-3-2-4-12(7-10)21-16(23)13-6-5-11(18)8-14(13)19/h2-9H,1H3,(H,20,22)(H,21,23)
InChIKeyZZSLBSOHOYZMPR-UHFFFAOYSA-N
XLogP5.41
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.28
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dichloro-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 23796735
2,4-dichloro-N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]benzamide
CID 108748313
2,5-dichloro-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 30859274
N-[3-[2-(2,4-dichloroanilino)-1,3-thiazol-4-yl]phenyl]-2-methoxybenzamide
CID 3654854
N-[3-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]naphthalene-2-carboxamide
CID 42764148
2-chloro-N-[3-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 5012288
2,4-dichloro-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]benzamide
CID 5057994
2-chloro-N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]benzamide
CID 108770274
2,4-dichloro-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 55382203
N-[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]-2,4-dichlorobenzamide
CID 2066122
2-chloro-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-4-methylbenzamide
CID 3401823
2,4-dichloro-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]benzamide
CID 5162603

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[3-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[3-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]benzamide (CID 42764139) is 2,4-dichloro-N-[3-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[3-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[3-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]benzamide is CNc1nc(-c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)cs1.
What is the InChIKey of 2,4-dichloro-N-[3-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]benzamide?
The InChIKey is ZZSLBSOHOYZMPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2N3OS/c1-20-17-22-15(9-24-17)10-3-2-4-12(7-10)21-16(23)13-6-5-11(18)8-14(13)19/h2-9H,1H3,(H,20,22)(H,21,23).
What are the key properties of 2,4-dichloro-N-[3-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]benzamide?
2,4-dichloro-N-[3-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]benzamide has a molecular weight of 378.28 g/mol, XLogP of 5.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[3-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]benzamide is sourced from PubChem (CID 42764139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).