ethane;3-(4-ethylphenyl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide

C24H30N2OS — CID 143671313

IUPACethane;3-(4-ethylphenyl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
SMILESCC.CCc1ccc(C(c2ccccc2)C(C)(C)C(=O)Nc2nccs2)cc1
InChIInChI=1S/C22H24N2OS.C2H6/c1-4-16-10-12-18(13-11-16)19(17-8-6-5-7-9-17)22(2,3)20(25)24-21-23-14-15-26-21;1-2/h5-15,19H,4H2,1-3H3,(H,23,24,25);1-2H3
InChIKeyWTAXCNTUCDNFFG-UHFFFAOYSA-N
MW394.58 g/mol
LogP6.53
Rot. Bonds6

About ethane;3-(4-ethylphenyl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide

ethane;3-(4-ethylphenyl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 143671313) has the molecular formula C24H30N2OS and a molecular weight of 394.58 g/mol. Its IUPAC name is ethane;3-(4-ethylphenyl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Nameethane;3-(4-ethylphenyl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
PubChem CID143671313
Molecular FormulaC24H30N2OS
Molecular Weight394.58 g/mol
Exact Mass394.21
IUPAC Nameethane;3-(4-ethylphenyl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
SMILESCC.CCc1ccc(C(c2ccccc2)C(C)(C)C(=O)Nc2nccs2)cc1
InChIInChI=1S/C22H24N2OS.C2H6/c1-4-16-10-12-18(13-11-16)19(17-8-6-5-7-9-17)22(2,3)20(25)24-21-23-14-15-26-21;1-2/h5-15,19H,4H2,1-3H3,(H,23,24,25);1-2H3
InChIKeyWTAXCNTUCDNFFG-UHFFFAOYSA-N
XLogP6.53
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.58
LogP ≤ 56.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-fluorophenyl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 59232619
CID 89275031
CID 89275031
3-[6-(4-methoxyphenyl)-3-pyridinyl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 59138553
2,2-dimethyl-3-phenyl-3-(1-pyridin-2-ylindazol-5-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 59252765
3-[1-(4-fluorophenyl)imidazo[1,5-a]pyridin-6-yl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 24789150
3-[1-(4-fluorophenyl)indol-5-yl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 59252882
3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 24789142
2-phenyl-N-(1,3-thiazol-2-yl)butanamide
CID 2888884
2-bromo-2-methyl-N-(1,3-thiazol-2-yl)propanamide
CID 818142
2,2,5-trimethyl-3-[4-(4-methylphenyl)phenyl]-N-(1,3-thiazol-2-yl)hexanamide
CID 143671282
3-(3-fluorophenyl)-2,2-dimethyl-3-(5-methylthiophen-2-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 89272327
3-(4-chlorophenyl)-2,2-dimethyl-3-(4-morpholin-4-ylphenyl)-N-(1,3-thiazol-2-yl)propanamide
CID 59232573

Frequently Asked Questions

What is the IUPAC name of ethane;3-(4-ethylphenyl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of ethane;3-(4-ethylphenyl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide (CID 143671313) is ethane;3-(4-ethylphenyl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for ethane;3-(4-ethylphenyl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for ethane;3-(4-ethylphenyl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide is CC.CCc1ccc(C(c2ccccc2)C(C)(C)C(=O)Nc2nccs2)cc1.
What is the InChIKey of ethane;3-(4-ethylphenyl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is WTAXCNTUCDNFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2OS.C2H6/c1-4-16-10-12-18(13-11-16)19(17-8-6-5-7-9-17)22(2,3)20(25)24-21-23-14-15-26-21;1-2/h5-15,19H,4H2,1-3H3,(H,23,24,25);1-2H3.
What are the key properties of ethane;3-(4-ethylphenyl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide?
ethane;3-(4-ethylphenyl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 394.58 g/mol, XLogP of 6.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(4-ethylphenyl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 143671313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).