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

C19H18N2O4S — CID 122668613

IUPACN-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]-4-(1-hydroxypropan-2-yl)benzamide
SMILESCC(CO)c1ccc(C(=O)Nc2nc(-c3ccc(O)cc3O)cs2)cc1
InChIInChI=1S/C19H18N2O4S/c1-11(9-22)12-2-4-13(5-3-12)18(25)21-19-20-16(10-26-19)15-7-6-14(23)8-17(15)24/h2-8,10-11,22-24H,9H2,1H3,(H,20,21,25)
InChIKeyFVHYCCQVQYYCKR-UHFFFAOYSA-N
MW370.43 g/mol
LogP3.57
Rot. Bonds5

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

N-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]-4-(1-hydroxypropan-2-yl)benzamide (PubChem CID 122668613) has the molecular formula C19H18N2O4S and a molecular weight of 370.43 g/mol. Its IUPAC name is N-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]-4-(1-hydroxypropan-2-yl)benzamide.

Molecular Properties

Compound NameN-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]-4-(1-hydroxypropan-2-yl)benzamide
PubChem CID122668613
Molecular FormulaC19H18N2O4S
Molecular Weight370.43 g/mol
Exact Mass370.10
IUPAC NameN-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]-4-(1-hydroxypropan-2-yl)benzamide
SMILESCC(CO)c1ccc(C(=O)Nc2nc(-c3ccc(O)cc3O)cs2)cc1
InChIInChI=1S/C19H18N2O4S/c1-11(9-22)12-2-4-13(5-3-12)18(25)21-19-20-16(10-26-19)15-7-6-14(23)8-17(15)24/h2-8,10-11,22-24H,9H2,1H3,(H,20,21,25)
InChIKeyFVHYCCQVQYYCKR-UHFFFAOYSA-N
XLogP3.57
TPSA102.68 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 53.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]-4-(hydroxymethyl)benzamide;N-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]-4-(1-hydroxypropan-2-yl)benzamide
CID 122668612
4-tert-butyl-N-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 71538364
N-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 53390146
N-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 71537816
N-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]-4-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzamide
CID 178070838
4-(2,5-dioxopyrrolidin-1-yl)-N-[4-[2,4-di(propan-2-yl)phenyl]-1,3-thiazol-2-yl]benzamide
CID 43000681
4-[2-(pent-1-en-2-ylamino)-1,3-thiazol-4-yl]benzene-1,3-diol
CID 126627632
N-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]-4-[4-[[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]carbamoyl]phenoxy]benzamide
CID 4671588
1-N,4-N-bis[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]benzene-1,4-dicarboxamide
CID 4116905
N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-4-fluorobenzamide
CID 3524198
N-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]-4-propan-2-ylbenzamide
CID 4120073
4-acetamido-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 4844502

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]-4-(1-hydroxypropan-2-yl)benzamide?
The IUPAC name of N-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]-4-(1-hydroxypropan-2-yl)benzamide (CID 122668613) is N-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]-4-(1-hydroxypropan-2-yl)benzamide.
What is the SMILES notation for N-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]-4-(1-hydroxypropan-2-yl)benzamide?
The canonical SMILES for N-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]-4-(1-hydroxypropan-2-yl)benzamide is CC(CO)c1ccc(C(=O)Nc2nc(-c3ccc(O)cc3O)cs2)cc1.
What is the InChIKey of N-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]-4-(1-hydroxypropan-2-yl)benzamide?
The InChIKey is FVHYCCQVQYYCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4S/c1-11(9-22)12-2-4-13(5-3-12)18(25)21-19-20-16(10-26-19)15-7-6-14(23)8-17(15)24/h2-8,10-11,22-24H,9H2,1H3,(H,20,21,25).
What are the key properties of N-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]-4-(1-hydroxypropan-2-yl)benzamide?
N-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]-4-(1-hydroxypropan-2-yl)benzamide has a molecular weight of 370.43 g/mol, XLogP of 3.57, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]-4-(1-hydroxypropan-2-yl)benzamide is sourced from PubChem (CID 122668613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).