N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3,3-diphenylpropanamide

C25H21ClN2OS — CID 3925208

IUPACN-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3,3-diphenylpropanamide
SMILESO=C(CC(c1ccccc1)c1ccccc1)Nc1ncc(Cc2ccc(Cl)cc2)s1
InChIInChI=1S/C25H21ClN2OS/c26-21-13-11-18(12-14-21)15-22-17-27-25(30-22)28-24(29)16-23(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-14,17,23H,15-16H2,(H,27,28,29)
InChIKeyFVULRFRLKSGHGF-UHFFFAOYSA-N
MW432.98 g/mol
LogP6.55
Rot. Bonds7

About N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3,3-diphenylpropanamide

N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3,3-diphenylpropanamide (PubChem CID 3925208) has the molecular formula C25H21ClN2OS and a molecular weight of 432.98 g/mol. Its IUPAC name is N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3,3-diphenylpropanamide.

Molecular Properties

Compound NameN-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3,3-diphenylpropanamide
PubChem CID3925208
Molecular FormulaC25H21ClN2OS
Molecular Weight432.98 g/mol
Exact Mass432.11
IUPAC NameN-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3,3-diphenylpropanamide
SMILESO=C(CC(c1ccccc1)c1ccccc1)Nc1ncc(Cc2ccc(Cl)cc2)s1
InChIInChI=1S/C25H21ClN2OS/c26-21-13-11-18(12-14-21)15-22-17-27-25(30-22)28-24(29)16-23(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-14,17,23H,15-16H2,(H,27,28,29)
InChIKeyFVULRFRLKSGHGF-UHFFFAOYSA-N
XLogP6.55
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.98
LogP ≤ 56.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzylsulfanyl-N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 23854688
N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(2,3-dichlorophenoxy)acetamide
CID 23912685
N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3-methylsulfanylpropanamide
CID 24645705
N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-methylsulfanylbenzamide
CID 18209053
3-chloro-N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-1-benzothiophene-2-carboxamide
CID 23791817
[2-[[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-(furan-2-ylmethyl)azanium
CID 2239728
4-[(5-benzyl-1,3-thiazol-2-yl)amino]-4-oxobutanoic acid
CID 27407164
N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 18270785
N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-chlorophenoxy)acetamide
CID 2130446
2-chloro-N-[(2S)-1-[[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]benzamide
CID 24575713
N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-phenylmethoxybenzamide
CID 3974923
N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 26011624

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3,3-diphenylpropanamide?
The IUPAC name of N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3,3-diphenylpropanamide (CID 3925208) is N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3,3-diphenylpropanamide.
What is the SMILES notation for N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3,3-diphenylpropanamide?
The canonical SMILES for N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3,3-diphenylpropanamide is O=C(CC(c1ccccc1)c1ccccc1)Nc1ncc(Cc2ccc(Cl)cc2)s1.
What is the InChIKey of N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3,3-diphenylpropanamide?
The InChIKey is FVULRFRLKSGHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN2OS/c26-21-13-11-18(12-14-21)15-22-17-27-25(30-22)28-24(29)16-23(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-14,17,23H,15-16H2,(H,27,28,29).
What are the key properties of N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3,3-diphenylpropanamide?
N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3,3-diphenylpropanamide has a molecular weight of 432.98 g/mol, XLogP of 6.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-3,3-diphenylpropanamide is sourced from PubChem (CID 3925208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).