N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3-diphenylpropanamide

C20H20N2OS — CID 110717408

IUPACN-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3-diphenylpropanamide
SMILESCc1nc(CNC(=O)CC(c2ccccc2)c2ccccc2)cs1
InChIInChI=1S/C20H20N2OS/c1-15-22-18(14-24-15)13-21-20(23)12-19(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,14,19H,12-13H2,1H3,(H,21,23)
InChIKeyFHPQXEYDRLEZQA-UHFFFAOYSA-N
MW336.46 g/mol
LogP4.29
Rot. Bonds6

About N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3-diphenylpropanamide

N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3-diphenylpropanamide (PubChem CID 110717408) has the molecular formula C20H20N2OS and a molecular weight of 336.46 g/mol. Its IUPAC name is N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3-diphenylpropanamide.

Molecular Properties

Compound NameN-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3-diphenylpropanamide
PubChem CID110717408
Molecular FormulaC20H20N2OS
Molecular Weight336.46 g/mol
Exact Mass336.13
IUPAC NameN-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3-diphenylpropanamide
SMILESCc1nc(CNC(=O)CC(c2ccccc2)c2ccccc2)cs1
InChIInChI=1S/C20H20N2OS/c1-15-22-18(14-24-15)13-21-20(23)12-19(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,14,19H,12-13H2,1H3,(H,21,23)
InChIKeyFHPQXEYDRLEZQA-UHFFFAOYSA-N
XLogP4.29
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-phenylacetamide
CID 104897686
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxo-4-phenylbutanamide
CID 47290668
3-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-phenylpropanamide
CID 110620271
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxo-5-phenylpentanamide
CID 108737365
2-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 63680112
2-[2-[[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]methyl]phenyl]acetic acid
CID 81311652
2-[(2-methyl-1,3-thiazol-4-yl)methylamino]-1-phenylethanol
CID 43392287
N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]-3,3-diphenylpropanamide
CID 110397871
5-[(2-methyl-1,3-thiazol-4-yl)methylamino]-5-oxopentanoic acid
CID 61282819
N-[(2-methylphenyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 31251684
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-thiophen-2-ylacetamide
CID 110717409
N-(2-methyl-1-phenylpropyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 78813908

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3-diphenylpropanamide?
The IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3-diphenylpropanamide (CID 110717408) is N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3-diphenylpropanamide.
What is the SMILES notation for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3-diphenylpropanamide?
The canonical SMILES for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3-diphenylpropanamide is Cc1nc(CNC(=O)CC(c2ccccc2)c2ccccc2)cs1.
What is the InChIKey of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3-diphenylpropanamide?
The InChIKey is FHPQXEYDRLEZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2OS/c1-15-22-18(14-24-15)13-21-20(23)12-19(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,14,19H,12-13H2,1H3,(H,21,23).
What are the key properties of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3-diphenylpropanamide?
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3-diphenylpropanamide has a molecular weight of 336.46 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3-diphenylpropanamide is sourced from PubChem (CID 110717408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).