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

C13H14N2O3S — CID 71543007

IUPACN-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1nc(-c2ccc(O)cc2O)cs1
InChIInChI=1S/C13H14N2O3S/c1-7(2)12(18)15-13-14-10(6-19-13)9-4-3-8(16)5-11(9)17/h3-7,16-17H,1-2H3,(H,14,15,18)
InChIKeyWIDNAJNXDPHROL-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.82
Rot. Bonds3

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

N-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]-2-methylpropanamide (PubChem CID 71543007) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is N-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]-2-methylpropanamide
PubChem CID71543007
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC NameN-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1nc(-c2ccc(O)cc2O)cs1
InChIInChI=1S/C13H14N2O3S/c1-7(2)12(18)15-13-14-10(6-19-13)9-4-3-8(16)5-11(9)17/h3-7,16-17H,1-2H3,(H,14,15,18)
InChIKeyWIDNAJNXDPHROL-UHFFFAOYSA-N
XLogP2.82
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]-2-methylpropanamide?
The IUPAC name of N-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]-2-methylpropanamide (CID 71543007) is N-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]-2-methylpropanamide.
What is the SMILES notation for N-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]-2-methylpropanamide?
The canonical SMILES for N-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]-2-methylpropanamide is CC(C)C(=O)Nc1nc(-c2ccc(O)cc2O)cs1.
What is the InChIKey of N-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]-2-methylpropanamide?
The InChIKey is WIDNAJNXDPHROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S/c1-7(2)12(18)15-13-14-10(6-19-13)9-4-3-8(16)5-11(9)17/h3-7,16-17H,1-2H3,(H,14,15,18).
What are the key properties of N-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]-2-methylpropanamide?
N-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]-2-methylpropanamide has a molecular weight of 278.33 g/mol, XLogP of 2.82, 3 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-methylpropanamide is sourced from PubChem (CID 71543007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).