N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(3-hydroxyphenyl)-2,2-dimethyl-3-phenylpropanamide

C22H24N2O2S — CID 59232697

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(3-hydroxyphenyl)-2,2-dimethyl-3-phenylpropanamide
SMILESCc1nc(NC(=O)C(C)(C)C(c2ccccc2)c2cccc(O)c2)sc1C
InChIInChI=1S/C22H24N2O2S/c1-14-15(2)27-21(23-14)24-20(26)22(3,4)19(16-9-6-5-7-10-16)17-11-8-12-18(25)13-17/h5-13,19,25H,1-4H3,(H,23,24,26)
InChIKeyFMDCZAVMICHDQN-UHFFFAOYSA-N
MW380.51 g/mol
LogP5.26
Rot. Bonds5

About N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(3-hydroxyphenyl)-2,2-dimethyl-3-phenylpropanamide

N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(3-hydroxyphenyl)-2,2-dimethyl-3-phenylpropanamide (PubChem CID 59232697) has the molecular formula C22H24N2O2S and a molecular weight of 380.51 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(3-hydroxyphenyl)-2,2-dimethyl-3-phenylpropanamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(3-hydroxyphenyl)-2,2-dimethyl-3-phenylpropanamide
PubChem CID59232697
Molecular FormulaC22H24N2O2S
Molecular Weight380.51 g/mol
Exact Mass380.16
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(3-hydroxyphenyl)-2,2-dimethyl-3-phenylpropanamide
SMILESCc1nc(NC(=O)C(C)(C)C(c2ccccc2)c2cccc(O)c2)sc1C
InChIInChI=1S/C22H24N2O2S/c1-14-15(2)27-21(23-14)24-20(26)22(3,4)19(16-9-6-5-7-10-16)17-11-8-12-18(25)13-17/h5-13,19,25H,1-4H3,(H,23,24,26)
InChIKeyFMDCZAVMICHDQN-UHFFFAOYSA-N
XLogP5.26
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.51
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-N-(4-methyl-1,3-benzothiazol-2-yl)-3,3-diphenylpropanamide
CID 59232817
N-(1,3-benzothiazol-2-yl)-3,3-bis(4-hydroxyphenyl)-2,2-dimethylpropanamide
CID 59232931
N-(5,6-dichloro-1,3-benzothiazol-2-yl)-2,2-dimethyl-3,3-diphenylpropanamide
CID 59232733
(2R)-2-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]-2-phenylacetic acid
CID 61465850
2,2-dimethyl-3,3-diphenyl-N-[4-(2-phenylpropan-2-yl)-1,3-thiazol-2-yl]propanamide
CID 59232960
1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-[3-(1-hydroxyethyl)phenyl]urea
CID 61466520
ethyl 2-[[3,3-bis(4-fluorophenyl)-2,2-dimethylpropanoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 59232871
3-(4-fluorophenyl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 59232619
methyl (2S)-3-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]-2-phenylpropanoate
CID 97002797
2,2-dimethyl-3-phenyl-3-[1-(1-phenylethyl)indazol-5-yl]-N-(1,3,4-thiadiazol-2-yl)propanamide
CID 152752445
(2R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(3-methylphenoxy)propanamide
CID 8797574
(2E)-2-[2-[(2,2-dimethyl-3,3-diphenylpropanoyl)amino]-1,3-thiazol-4-yl]-2-methoxyiminoacetic acid
CID 87453165

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(3-hydroxyphenyl)-2,2-dimethyl-3-phenylpropanamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(3-hydroxyphenyl)-2,2-dimethyl-3-phenylpropanamide (CID 59232697) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(3-hydroxyphenyl)-2,2-dimethyl-3-phenylpropanamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(3-hydroxyphenyl)-2,2-dimethyl-3-phenylpropanamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(3-hydroxyphenyl)-2,2-dimethyl-3-phenylpropanamide is Cc1nc(NC(=O)C(C)(C)C(c2ccccc2)c2cccc(O)c2)sc1C.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(3-hydroxyphenyl)-2,2-dimethyl-3-phenylpropanamide?
The InChIKey is FMDCZAVMICHDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2S/c1-14-15(2)27-21(23-14)24-20(26)22(3,4)19(16-9-6-5-7-10-16)17-11-8-12-18(25)13-17/h5-13,19,25H,1-4H3,(H,23,24,26).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(3-hydroxyphenyl)-2,2-dimethyl-3-phenylpropanamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(3-hydroxyphenyl)-2,2-dimethyl-3-phenylpropanamide has a molecular weight of 380.51 g/mol, XLogP of 5.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(3-hydroxyphenyl)-2,2-dimethyl-3-phenylpropanamide is sourced from PubChem (CID 59232697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).