2-methyl-N-[3-[2-(2-methylanilino)-1,3-thiazol-4-yl]phenyl]benzamide

C24H21N3OS — CID 3418788

IUPAC2-methyl-N-[3-[2-(2-methylanilino)-1,3-thiazol-4-yl]phenyl]benzamide
SMILESCc1ccccc1Nc1nc(-c2cccc(NC(=O)c3ccccc3C)c2)cs1
InChIInChI=1S/C24H21N3OS/c1-16-8-3-5-12-20(16)23(28)25-19-11-7-10-18(14-19)22-15-29-24(27-22)26-21-13-6-4-9-17(21)2/h3-15H,1-2H3,(H,25,28)(H,26,27)
InChIKeyNVVJRGIXUZIGJL-UHFFFAOYSA-N
MW399.52 g/mol
LogP6.42
Rot. Bonds5

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

2-methyl-N-[3-[2-(2-methylanilino)-1,3-thiazol-4-yl]phenyl]benzamide (PubChem CID 3418788) has the molecular formula C24H21N3OS and a molecular weight of 399.52 g/mol. Its IUPAC name is 2-methyl-N-[3-[2-(2-methylanilino)-1,3-thiazol-4-yl]phenyl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[3-[2-(2-methylanilino)-1,3-thiazol-4-yl]phenyl]benzamide
PubChem CID3418788
Molecular FormulaC24H21N3OS
Molecular Weight399.52 g/mol
Exact Mass399.14
IUPAC Name2-methyl-N-[3-[2-(2-methylanilino)-1,3-thiazol-4-yl]phenyl]benzamide
SMILESCc1ccccc1Nc1nc(-c2cccc(NC(=O)c3ccccc3C)c2)cs1
InChIInChI=1S/C24H21N3OS/c1-16-8-3-5-12-20(16)23(28)25-19-11-7-10-18(14-19)22-15-29-24(27-22)26-21-13-6-4-9-17(21)2/h3-15H,1-2H3,(H,25,28)(H,26,27)
InChIKeyNVVJRGIXUZIGJL-UHFFFAOYSA-N
XLogP6.42
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.52
LogP ≤ 56.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[2-(2-methylanilino)-1,3-thiazol-4-yl]phenyl]naphthalene-1-carboxamide
CID 3475744
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-methylbenzamide
CID 19195032
2-methyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 576996
N-[3-[2-(2,4-dichloroanilino)-1,3-thiazol-4-yl]phenyl]-2-methoxybenzamide
CID 3654854
2-chloro-N-[3-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 5012288
2-chloro-N-[3-[2-(5-chloro-2-methylanilino)-1,3-thiazol-4-yl]phenyl]acetamide
CID 5027218
2-bromo-N-[3-[2-(3-fluoroanilino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 3950019
N-[3-[2-(5-chloro-2-methylanilino)-1,3-thiazol-4-yl]phenyl]-2,2-dimethylpropanamide
CID 5135607
N-[3-[2-(3-methylanilino)-1,3-thiazol-4-yl]phenyl]thiophene-2-carboxamide
CID 5039153
2-methyl-N-[3-[1-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]sulfanylphenyl]benzamide
CID 18900354
4-ethyl-N-[3-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 3877402
2-chloro-N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]benzamide
CID 108770274

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-[2-(2-methylanilino)-1,3-thiazol-4-yl]phenyl]benzamide?
The IUPAC name of 2-methyl-N-[3-[2-(2-methylanilino)-1,3-thiazol-4-yl]phenyl]benzamide (CID 3418788) is 2-methyl-N-[3-[2-(2-methylanilino)-1,3-thiazol-4-yl]phenyl]benzamide.
What is the SMILES notation for 2-methyl-N-[3-[2-(2-methylanilino)-1,3-thiazol-4-yl]phenyl]benzamide?
The canonical SMILES for 2-methyl-N-[3-[2-(2-methylanilino)-1,3-thiazol-4-yl]phenyl]benzamide is Cc1ccccc1Nc1nc(-c2cccc(NC(=O)c3ccccc3C)c2)cs1.
What is the InChIKey of 2-methyl-N-[3-[2-(2-methylanilino)-1,3-thiazol-4-yl]phenyl]benzamide?
The InChIKey is NVVJRGIXUZIGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3OS/c1-16-8-3-5-12-20(16)23(28)25-19-11-7-10-18(14-19)22-15-29-24(27-22)26-21-13-6-4-9-17(21)2/h3-15H,1-2H3,(H,25,28)(H,26,27).
What are the key properties of 2-methyl-N-[3-[2-(2-methylanilino)-1,3-thiazol-4-yl]phenyl]benzamide?
2-methyl-N-[3-[2-(2-methylanilino)-1,3-thiazol-4-yl]phenyl]benzamide has a molecular weight of 399.52 g/mol, XLogP of 6.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-[2-(2-methylanilino)-1,3-thiazol-4-yl]phenyl]benzamide is sourced from PubChem (CID 3418788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).