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

C26H23ClN2OS — CID 59232782

IUPACN-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2,2-dimethyl-3,3-diphenylpropanamide
SMILESCC(C)(C(=O)Nc1nc(-c2ccccc2Cl)cs1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H23ClN2OS/c1-26(2,23(18-11-5-3-6-12-18)19-13-7-4-8-14-19)24(30)29-25-28-22(17-31-25)20-15-9-10-16-21(20)27/h3-17,23H,1-2H3,(H,28,29,30)
InChIKeyVRXGERHLMVYKAH-UHFFFAOYSA-N
MW447.00 g/mol
LogP7.26
Rot. Bonds6

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

N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2,2-dimethyl-3,3-diphenylpropanamide (PubChem CID 59232782) has the molecular formula C26H23ClN2OS and a molecular weight of 447.00 g/mol. Its IUPAC name is N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2,2-dimethyl-3,3-diphenylpropanamide.

Molecular Properties

Compound NameN-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2,2-dimethyl-3,3-diphenylpropanamide
PubChem CID59232782
Molecular FormulaC26H23ClN2OS
Molecular Weight447.00 g/mol
Exact Mass446.12
IUPAC NameN-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2,2-dimethyl-3,3-diphenylpropanamide
SMILESCC(C)(C(=O)Nc1nc(-c2ccccc2Cl)cs1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H23ClN2OS/c1-26(2,23(18-11-5-3-6-12-18)19-13-7-4-8-14-19)24(30)29-25-28-22(17-31-25)20-15-9-10-16-21(20)27/h3-17,23H,1-2H3,(H,28,29,30)
InChIKeyVRXGERHLMVYKAH-UHFFFAOYSA-N
XLogP7.26
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.00
LogP ≤ 57.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-3,3-diphenyl-N-[4-(2-phenylpropan-2-yl)-1,3-thiazol-2-yl]propanamide
CID 59232960
2-bromo-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]butanamide
CID 62856308
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 23860914
2-(2-chlorophenyl)sulfanyl-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 4830075
2,6-dichloro-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 35523547
2-(2-tert-butylphenoxy)-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 19196694
(Z)-4-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]amino]-4-oxobut-2-enoic acid
CID 46235790
(2S)-2-amino-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-methylbutanamide;hydrochloride
CID 119264489
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-phenylpropanamide
CID 19194885
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(4-hydroxyphenyl)acetamide
CID 78838502
N-(5,6-dichloro-1,3-benzothiazol-2-yl)-2,2-dimethyl-3,3-diphenylpropanamide
CID 59232733
3-(4-methoxyphenyl)-N-[4-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-2,2-dimethyl-3-phenylpropanamide
CID 87453170

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2,2-dimethyl-3,3-diphenylpropanamide?
The IUPAC name of N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2,2-dimethyl-3,3-diphenylpropanamide (CID 59232782) is N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2,2-dimethyl-3,3-diphenylpropanamide.
What is the SMILES notation for N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2,2-dimethyl-3,3-diphenylpropanamide?
The canonical SMILES for N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2,2-dimethyl-3,3-diphenylpropanamide is CC(C)(C(=O)Nc1nc(-c2ccccc2Cl)cs1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2,2-dimethyl-3,3-diphenylpropanamide?
The InChIKey is VRXGERHLMVYKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClN2OS/c1-26(2,23(18-11-5-3-6-12-18)19-13-7-4-8-14-19)24(30)29-25-28-22(17-31-25)20-15-9-10-16-21(20)27/h3-17,23H,1-2H3,(H,28,29,30).
What are the key properties of N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2,2-dimethyl-3,3-diphenylpropanamide?
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2,2-dimethyl-3,3-diphenylpropanamide has a molecular weight of 447.00 g/mol, XLogP of 7.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2,2-dimethyl-3,3-diphenylpropanamide is sourced from PubChem (CID 59232782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).