2-methyl-4-[[4-(2-methyl-1,3-thiazol-4-yl)benzoyl]amino]benzamide

C19H17N3O2S — CID 167960554

IUPAC2-methyl-4-[[4-(2-methyl-1,3-thiazol-4-yl)benzoyl]amino]benzamide
SMILESCc1nc(-c2ccc(C(=O)Nc3ccc(C(N)=O)c(C)c3)cc2)cs1
InChIInChI=1S/C19H17N3O2S/c1-11-9-15(7-8-16(11)18(20)23)22-19(24)14-5-3-13(4-6-14)17-10-25-12(2)21-17/h3-10H,1-2H3,(H2,20,23)(H,22,24)
InChIKeyQLLMQDSQDZULRM-UHFFFAOYSA-N
MW351.43 g/mol
LogP3.78
Rot. Bonds4

About 2-methyl-4-[[4-(2-methyl-1,3-thiazol-4-yl)benzoyl]amino]benzamide

2-methyl-4-[[4-(2-methyl-1,3-thiazol-4-yl)benzoyl]amino]benzamide (PubChem CID 167960554) has the molecular formula C19H17N3O2S and a molecular weight of 351.43 g/mol. Its IUPAC name is 2-methyl-4-[[4-(2-methyl-1,3-thiazol-4-yl)benzoyl]amino]benzamide.

Molecular Properties

Compound Name2-methyl-4-[[4-(2-methyl-1,3-thiazol-4-yl)benzoyl]amino]benzamide
PubChem CID167960554
Molecular FormulaC19H17N3O2S
Molecular Weight351.43 g/mol
Exact Mass351.10
IUPAC Name2-methyl-4-[[4-(2-methyl-1,3-thiazol-4-yl)benzoyl]amino]benzamide
SMILESCc1nc(-c2ccc(C(=O)Nc3ccc(C(N)=O)c(C)c3)cc2)cs1
InChIInChI=1S/C19H17N3O2S/c1-11-9-15(7-8-16(11)18(20)23)22-19(24)14-5-3-13(4-6-14)17-10-25-12(2)21-17/h3-10H,1-2H3,(H2,20,23)(H,22,24)
InChIKeyQLLMQDSQDZULRM-UHFFFAOYSA-N
XLogP3.78
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-acetamido-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 27167057
4-iodo-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 27167049
4-(dimethylamino)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108727305
tert-butyl N-[4-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]carbamoyl]phenyl]carbamate
CID 55414687
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-(trifluoromethoxy)benzamide
CID 8534106
N-hydroxy-4-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 167927329
N-(2-methylphenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 53037594
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-pyrrol-1-ylbenzamide
CID 26953310
3-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 737892
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 766934
N-(3-amino-3,4-dihydro-2H-chromen-7-yl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 118694660
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3,5-dinitrobenzamide
CID 23764172

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[[4-(2-methyl-1,3-thiazol-4-yl)benzoyl]amino]benzamide?
The IUPAC name of 2-methyl-4-[[4-(2-methyl-1,3-thiazol-4-yl)benzoyl]amino]benzamide (CID 167960554) is 2-methyl-4-[[4-(2-methyl-1,3-thiazol-4-yl)benzoyl]amino]benzamide.
What is the SMILES notation for 2-methyl-4-[[4-(2-methyl-1,3-thiazol-4-yl)benzoyl]amino]benzamide?
The canonical SMILES for 2-methyl-4-[[4-(2-methyl-1,3-thiazol-4-yl)benzoyl]amino]benzamide is Cc1nc(-c2ccc(C(=O)Nc3ccc(C(N)=O)c(C)c3)cc2)cs1.
What is the InChIKey of 2-methyl-4-[[4-(2-methyl-1,3-thiazol-4-yl)benzoyl]amino]benzamide?
The InChIKey is QLLMQDSQDZULRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2S/c1-11-9-15(7-8-16(11)18(20)23)22-19(24)14-5-3-13(4-6-14)17-10-25-12(2)21-17/h3-10H,1-2H3,(H2,20,23)(H,22,24).
What are the key properties of 2-methyl-4-[[4-(2-methyl-1,3-thiazol-4-yl)benzoyl]amino]benzamide?
2-methyl-4-[[4-(2-methyl-1,3-thiazol-4-yl)benzoyl]amino]benzamide has a molecular weight of 351.43 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[[4-(2-methyl-1,3-thiazol-4-yl)benzoyl]amino]benzamide is sourced from PubChem (CID 167960554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).