5-[2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-1,3-thiazol-4-yl]-2-hydroxybenzamide

C19H17N3O3S — CID 87929466

IUPAC5-[2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-1,3-thiazol-4-yl]-2-hydroxybenzamide
SMILESNC(=O)c1cc(-c2csc(NCc3ccc4c(c3)CCO4)n2)ccc1O
InChIInChI=1S/C19H17N3O3S/c20-18(24)14-8-12(2-3-16(14)23)15-10-26-19(22-15)21-9-11-1-4-17-13(7-11)5-6-25-17/h1-4,7-8,10,23H,5-6,9H2,(H2,20,24)(H,21,22)
InChIKeyFZQLEOFBAQFBNH-UHFFFAOYSA-N
MW367.43 g/mol
LogP3.16
Rot. Bonds5

About 5-[2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-1,3-thiazol-4-yl]-2-hydroxybenzamide

5-[2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-1,3-thiazol-4-yl]-2-hydroxybenzamide (PubChem CID 87929466) has the molecular formula C19H17N3O3S and a molecular weight of 367.43 g/mol. Its IUPAC name is 5-[2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-1,3-thiazol-4-yl]-2-hydroxybenzamide.

Molecular Properties

Compound Name5-[2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-1,3-thiazol-4-yl]-2-hydroxybenzamide
PubChem CID87929466
Molecular FormulaC19H17N3O3S
Molecular Weight367.43 g/mol
Exact Mass367.10
IUPAC Name5-[2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-1,3-thiazol-4-yl]-2-hydroxybenzamide
SMILESNC(=O)c1cc(-c2csc(NCc3ccc4c(c3)CCO4)n2)ccc1O
InChIInChI=1S/C19H17N3O3S/c20-18(24)14-8-12(2-3-16(14)23)15-10-26-19(22-15)21-9-11-1-4-17-13(7-11)5-6-25-17/h1-4,7-8,10,23H,5-6,9H2,(H2,20,24)(H,21,22)
InChIKeyFZQLEOFBAQFBNH-UHFFFAOYSA-N
XLogP3.16
TPSA97.47 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-2-(2,3-dihydro-1-benzofuran-5-yl)acetamide
CID 55487502
2-hydroxy-5-[2-[[(2S)-oxolan-2-yl]methylamino]-1,3-thiazol-4-yl]benzamide
CID 41156154
2-amino-N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-2-methylpentanamide
CID 119699067
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-amine
CID 87929472
N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119699050
N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]furan-3-carboxamide
CID 17394900
2-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]acetic acid
CID 116965649
ethyl 6-[[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]carbamoyl]-2-methylpyridine-3-carboxylate
CID 55632896
4-chloro-N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-2-iodobenzamide
CID 38937157
methyl 4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazole-2-carboxylate
CID 116966357
2-hydroxy-5-[2-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazol-4-yl]benzamide
CID 155566832
N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-2-[4-(1,3-dithiolan-2-yl)phenoxy]acetamide
CID 35847930

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-1,3-thiazol-4-yl]-2-hydroxybenzamide?
The IUPAC name of 5-[2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-1,3-thiazol-4-yl]-2-hydroxybenzamide (CID 87929466) is 5-[2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-1,3-thiazol-4-yl]-2-hydroxybenzamide.
What is the SMILES notation for 5-[2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-1,3-thiazol-4-yl]-2-hydroxybenzamide?
The canonical SMILES for 5-[2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-1,3-thiazol-4-yl]-2-hydroxybenzamide is NC(=O)c1cc(-c2csc(NCc3ccc4c(c3)CCO4)n2)ccc1O.
What is the InChIKey of 5-[2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-1,3-thiazol-4-yl]-2-hydroxybenzamide?
The InChIKey is FZQLEOFBAQFBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3S/c20-18(24)14-8-12(2-3-16(14)23)15-10-26-19(22-15)21-9-11-1-4-17-13(7-11)5-6-25-17/h1-4,7-8,10,23H,5-6,9H2,(H2,20,24)(H,21,22).
What are the key properties of 5-[2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-1,3-thiazol-4-yl]-2-hydroxybenzamide?
5-[2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-1,3-thiazol-4-yl]-2-hydroxybenzamide has a molecular weight of 367.43 g/mol, XLogP of 3.16, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-1,3-thiazol-4-yl]-2-hydroxybenzamide is sourced from PubChem (CID 87929466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).