4-[(2-methylanilino)methyl]-N-[4-methyl-5-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide

C22H24N4O2S — CID 145489256

IUPAC4-[(2-methylanilino)methyl]-N-[4-methyl-5-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
SMILESCNC(=O)Cc1sc(NC(=O)c2ccc(CNc3ccccc3C)cc2)nc1C
InChIInChI=1S/C22H24N4O2S/c1-14-6-4-5-7-18(14)24-13-16-8-10-17(11-9-16)21(28)26-22-25-15(2)19(29-22)12-20(27)23-3/h4-11,24H,12-13H2,1-3H3,(H,23,27)(H,25,26,28)
InChIKeySXMXOVYMYBENDJ-UHFFFAOYSA-N
MW408.53 g/mol
LogP3.91
Rot. Bonds7

About 4-[(2-methylanilino)methyl]-N-[4-methyl-5-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide

4-[(2-methylanilino)methyl]-N-[4-methyl-5-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide (PubChem CID 145489256) has the molecular formula C22H24N4O2S and a molecular weight of 408.53 g/mol. Its IUPAC name is 4-[(2-methylanilino)methyl]-N-[4-methyl-5-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-[(2-methylanilino)methyl]-N-[4-methyl-5-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
PubChem CID145489256
Molecular FormulaC22H24N4O2S
Molecular Weight408.53 g/mol
Exact Mass408.16
IUPAC Name4-[(2-methylanilino)methyl]-N-[4-methyl-5-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
SMILESCNC(=O)Cc1sc(NC(=O)c2ccc(CNc3ccccc3C)cc2)nc1C
InChIInChI=1S/C22H24N4O2S/c1-14-6-4-5-7-18(14)24-13-16-8-10-17(11-9-16)21(28)26-22-25-15(2)19(29-22)12-20(27)23-3/h4-11,24H,12-13H2,1-3H3,(H,23,27)(H,25,26,28)
InChIKeySXMXOVYMYBENDJ-UHFFFAOYSA-N
XLogP3.91
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.53
LogP ≤ 53.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N,N,4-trimethyl-2-[[4-[(2-methylanilino)methyl]benzoyl]amino]-1,3-thiazole-5-carboxamide
CID 145489196
2-(2-benzamido-4-methyl-1,3-thiazol-5-yl)acetic acid
CID 82058764
N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)-4-methylbenzamide
CID 43837130
4-[(2-methylanilino)methyl]-N-(3-methylphenyl)benzamide
CID 145489122
4-chloro-N-[5-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]benzamide
CID 43836537
N-(5-benzyl-4-methyl-1,3-thiazol-2-yl)-4-chlorobenzamide
CID 43836531
2-[4-methyl-2-[(2-methylbenzoyl)amino]-1,3-thiazol-5-yl]acetic acid
CID 82058765
N-benzyl-4-methyl-2-[(4-methylbenzoyl)amino]-1,3-thiazole-5-carboxamide
CID 1468263
N-[4-methyl-5-[(4-sulfamoylphenyl)methyl]-1,3-thiazol-2-yl]benzamide
CID 43836440
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-[(2-ethylanilino)methyl]benzamide
CID 84560554
3-(2-benzamido-4-methyl-1,3-thiazol-5-yl)propanoic acid
CID 82058794
N-[5-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-4-fluorobenzamide
CID 43836519

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylanilino)methyl]-N-[4-methyl-5-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 4-[(2-methylanilino)methyl]-N-[4-methyl-5-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide (CID 145489256) is 4-[(2-methylanilino)methyl]-N-[4-methyl-5-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 4-[(2-methylanilino)methyl]-N-[4-methyl-5-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 4-[(2-methylanilino)methyl]-N-[4-methyl-5-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide is CNC(=O)Cc1sc(NC(=O)c2ccc(CNc3ccccc3C)cc2)nc1C.
What is the InChIKey of 4-[(2-methylanilino)methyl]-N-[4-methyl-5-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?
The InChIKey is SXMXOVYMYBENDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2S/c1-14-6-4-5-7-18(14)24-13-16-8-10-17(11-9-16)21(28)26-22-25-15(2)19(29-22)12-20(27)23-3/h4-11,24H,12-13H2,1-3H3,(H,23,27)(H,25,26,28).
What are the key properties of 4-[(2-methylanilino)methyl]-N-[4-methyl-5-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?
4-[(2-methylanilino)methyl]-N-[4-methyl-5-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 408.53 g/mol, XLogP of 3.91, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylanilino)methyl]-N-[4-methyl-5-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 145489256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).