N-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide

C14H16N2O3S — CID 71543006

IUPACN-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1nc(-c2ccc(O)cc2O)cs1
InChIInChI=1S/C14H16N2O3S/c1-14(2,3)12(19)16-13-15-10(7-20-13)9-5-4-8(17)6-11(9)18/h4-7,17-18H,1-3H3,(H,15,16,19)
InChIKeyBRZJGUCWMYTOQH-UHFFFAOYSA-N
MW292.36 g/mol
LogP3.21
Rot. Bonds2

About N-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide

N-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide (PubChem CID 71543006) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is N-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
PubChem CID71543006
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC NameN-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1nc(-c2ccc(O)cc2O)cs1
InChIInChI=1S/C14H16N2O3S/c1-14(2,3)12(19)16-13-15-10(7-20-13)9-5-4-8(17)6-11(9)18/h4-7,17-18H,1-3H3,(H,15,16,19)
InChIKeyBRZJGUCWMYTOQH-UHFFFAOYSA-N
XLogP3.21
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl)-2-methylpropanamide
CID 71543007
4-(2-Amino-1,3-thiazol-4-yl)phenol
CID 346926
2-(2-Amino-1,3-thiazol-4-yl)phenol
CID 605966
4-(2-Amino-1,3-thiazol-4-yl)benzene-1,3-diol
CID 767450
4-[2-(6-Methyl-pyridin-2-ylamino)-thiazol-4-yl]-benzene-1,3-diol
CID 751911
N-[4-(4-Methoxy-phenyl)-thiazol-2-yl]-butyramide
CID 838730
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-fluorophenyl)acetamide
CID 4797121
Allyl-[4-(2,4-dimethoxy-phenyl)-thiazol-2-yl]-amine
CID 6603188
N-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 155546251
N-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 53390146
N-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]-4-(hydroxymethyl)benzamide
CID 71537811
N-(4-(2,4-Dihydroxyphenyl)thiazol-2-yl)acetamide
CID 71543104

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide (CID 71543006) is N-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1nc(-c2ccc(O)cc2O)cs1.
What is the InChIKey of N-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide?
The InChIKey is BRZJGUCWMYTOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-14(2,3)12(19)16-13-15-10(7-20-13)9-5-4-8(17)6-11(9)18/h4-7,17-18H,1-3H3,(H,15,16,19).
What are the key properties of N-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide?
N-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide has a molecular weight of 292.36 g/mol, XLogP of 3.21, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 71543006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).