N-benzhydryl-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide

C21H22N2OS — CID 38900998

IUPACN-benzhydryl-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
SMILESCC(C)c1nc(CC(=O)NC(c2ccccc2)c2ccccc2)cs1
InChIInChI=1S/C21H22N2OS/c1-15(2)21-22-18(14-25-21)13-19(24)23-20(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,14-15,20H,13H2,1-2H3,(H,23,24)
InChIKeyRQXNKZDRFDOVPP-UHFFFAOYSA-N
MW350.49 g/mol
LogP4.71
Rot. Bonds6

About N-benzhydryl-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide

N-benzhydryl-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 38900998) has the molecular formula C21H22N2OS and a molecular weight of 350.49 g/mol. Its IUPAC name is N-benzhydryl-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-benzhydryl-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
PubChem CID38900998
Molecular FormulaC21H22N2OS
Molecular Weight350.49 g/mol
Exact Mass350.15
IUPAC NameN-benzhydryl-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
SMILESCC(C)c1nc(CC(=O)NC(c2ccccc2)c2ccccc2)cs1
InChIInChI=1S/C21H22N2OS/c1-15(2)21-22-18(14-25-21)13-19(24)23-20(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,14-15,20H,13H2,1-2H3,(H,23,24)
InChIKeyRQXNKZDRFDOVPP-UHFFFAOYSA-N
XLogP4.71
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.49
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-hydroxypropan-2-yl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 110890212
N-(1,1-diphenylethyl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 56522612
N-ethyl-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 91286036
N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 38928151
N-[(R)-(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 95871532
N-(2-methyl-1-phenylpropyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 78813908
N-(2,5-dichlorophenyl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 38886003
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 86986105
methyl 2-phenyl-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]acetate
CID 62109656
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[(4-methylphenyl)-phenylmethyl]acetamide
CID 16599382
2-amino-2-phenyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide;dihydrochloride
CID 119869430
N-[[4-(difluoromethoxy)phenyl]-phenylmethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 16563571

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-benzhydryl-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide (CID 38900998) is N-benzhydryl-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-benzhydryl-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-benzhydryl-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide is CC(C)c1nc(CC(=O)NC(c2ccccc2)c2ccccc2)cs1.
What is the InChIKey of N-benzhydryl-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide?
The InChIKey is RQXNKZDRFDOVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2OS/c1-15(2)21-22-18(14-25-21)13-19(24)23-20(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,14-15,20H,13H2,1-2H3,(H,23,24).
What are the key properties of N-benzhydryl-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide?
N-benzhydryl-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 350.49 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 38900998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).