2-methyl-N-[3-methyl-1-[[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]amino]-1-oxobutan-2-yl]benzamide

C21H23N3O2S2 — CID 112771358

IUPAC2-methyl-N-[3-methyl-1-[[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]amino]-1-oxobutan-2-yl]benzamide
SMILESCc1ccc(-c2csc(NC(=O)C(NC(=O)c3ccccc3C)C(C)C)n2)s1
InChIInChI=1S/C21H23N3O2S2/c1-12(2)18(23-19(25)15-8-6-5-7-13(15)3)20(26)24-21-22-16(11-27-21)17-10-9-14(4)28-17/h5-12,18H,1-4H3,(H,23,25)(H,22,24,26)
InChIKeyRZUDUERVVCNLDY-UHFFFAOYSA-N
MW413.57 g/mol
LogP4.88
Rot. Bonds6

About 2-methyl-N-[3-methyl-1-[[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]amino]-1-oxobutan-2-yl]benzamide

2-methyl-N-[3-methyl-1-[[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]amino]-1-oxobutan-2-yl]benzamide (PubChem CID 112771358) has the molecular formula C21H23N3O2S2 and a molecular weight of 413.57 g/mol. Its IUPAC name is 2-methyl-N-[3-methyl-1-[[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]amino]-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[3-methyl-1-[[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]amino]-1-oxobutan-2-yl]benzamide
PubChem CID112771358
Molecular FormulaC21H23N3O2S2
Molecular Weight413.57 g/mol
Exact Mass413.12
IUPAC Name2-methyl-N-[3-methyl-1-[[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]amino]-1-oxobutan-2-yl]benzamide
SMILESCc1ccc(-c2csc(NC(=O)C(NC(=O)c3ccccc3C)C(C)C)n2)s1
InChIInChI=1S/C21H23N3O2S2/c1-12(2)18(23-19(25)15-8-6-5-7-13(15)3)20(26)24-21-22-16(11-27-21)17-10-9-14(4)28-17/h5-12,18H,1-4H3,(H,23,25)(H,22,24,26)
InChIKeyRZUDUERVVCNLDY-UHFFFAOYSA-N
XLogP4.88
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.57
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-methyl-N-[3-methyl-1-[[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]amino]-1-oxobutan-2-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-N-[3-methyl-1-oxo-1-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]butan-2-yl]benzamide
CID 78780187
2-methyl-N-[(2R)-3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]benzamide
CID 2666515
(2S)-2-amino-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]propanamide
CID 119271226
N-[(2S)-1-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
CID 8927340
2-methoxy-N-[3-methyl-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]butan-2-yl]benzamide
CID 112760590
2-fluoro-N-[(2R)-3-methyl-1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxobutan-2-yl]benzamide
CID 2679243
N-[(2S)-1-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)amino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
CID 2701521
N-[(2R)-1-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylamino)-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
CID 42146145
2-ethyl-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]butanamide
CID 112771343
2-methyl-N-[(2S)-3-methyl-1-oxo-1-(pyridin-4-ylamino)butan-2-yl]benzamide
CID 30157647
N-[(2S)-1-[[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
CID 51937950
2-methyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 576996

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-methyl-1-[[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]amino]-1-oxobutan-2-yl]benzamide?
The IUPAC name of 2-methyl-N-[3-methyl-1-[[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]amino]-1-oxobutan-2-yl]benzamide (CID 112771358) is 2-methyl-N-[3-methyl-1-[[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]amino]-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for 2-methyl-N-[3-methyl-1-[[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]amino]-1-oxobutan-2-yl]benzamide?
The canonical SMILES for 2-methyl-N-[3-methyl-1-[[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]amino]-1-oxobutan-2-yl]benzamide is Cc1ccc(-c2csc(NC(=O)C(NC(=O)c3ccccc3C)C(C)C)n2)s1.
What is the InChIKey of 2-methyl-N-[3-methyl-1-[[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]amino]-1-oxobutan-2-yl]benzamide?
The InChIKey is RZUDUERVVCNLDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2S2/c1-12(2)18(23-19(25)15-8-6-5-7-13(15)3)20(26)24-21-22-16(11-27-21)17-10-9-14(4)28-17/h5-12,18H,1-4H3,(H,23,25)(H,22,24,26).
What are the key properties of 2-methyl-N-[3-methyl-1-[[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]amino]-1-oxobutan-2-yl]benzamide?
2-methyl-N-[3-methyl-1-[[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]amino]-1-oxobutan-2-yl]benzamide has a molecular weight of 413.57 g/mol, XLogP of 4.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-methyl-1-[[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]amino]-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 112771358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).