N-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]furan-2-carboxamide

C18H12N2O3S — CID 727020

IUPACN-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(O)c(-c2nc3ccccc3s2)c1)c1ccco1
InChIInChI=1S/C18H12N2O3S/c21-14-8-7-11(19-17(22)15-5-3-9-23-15)10-12(14)18-20-13-4-1-2-6-16(13)24-18/h1-10,21H,(H,19,22)
InChIKeyNXBBGLMSPOEUIU-UHFFFAOYSA-N
MW336.37 g/mol
LogP4.51
Rot. Bonds3

About N-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]furan-2-carboxamide

N-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]furan-2-carboxamide (PubChem CID 727020) has the molecular formula C18H12N2O3S and a molecular weight of 336.37 g/mol. Its IUPAC name is N-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]furan-2-carboxamide
PubChem CID727020
Molecular FormulaC18H12N2O3S
Molecular Weight336.37 g/mol
Exact Mass336.06
IUPAC NameN-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]furan-2-carboxamide
SMILESO=C(Nc1ccc(O)c(-c2nc3ccccc3s2)c1)c1ccco1
InChIInChI=1S/C18H12N2O3S/c21-14-8-7-11(19-17(22)15-5-3-9-23-15)10-12(14)18-20-13-4-1-2-6-16(13)24-18/h1-10,21H,(H,19,22)
InChIKeyNXBBGLMSPOEUIU-UHFFFAOYSA-N
XLogP4.51
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-[2-(1,3-benzothiazol-2-yl)-4-chlorophenyl]furan-2-carboxamide
CID 1086066
Furan-2-carboxylic acid 4-benzothiazol-2-yl-benzylamide
CID 2979650
N-[5-(1,3-benzothiazol-2-yl)-2-methoxyphenyl]-1-benzofuran-2-carboxamide
CID 1242890
N-({[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]amino}carbonothioyl)-3-(2-furyl)acrylamide
CID 1280304
N-(3-(benzo[d]thiazol-2-yl)-4-hydroxyphenyl)thiophene-2-carboxamide
CID 5125965
N-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]-2-(4-methoxyphenoxy)acetamide
CID 5072308
2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide
CID 1076222
N-(2-methyl-1,3-benzothiazol-6-yl)-2-furancarboxamide
CID 1085170
N-[4-(1,3-benzothiazol-2-yl)benzyl]-1-benzofuran-2-carboxamide
CID 1254657
N-(2-carbamoyl-1-benzofuran-3-yl)-1,3-benzothiazole-2-carboxamide
CID 2141383
N-(3-(6-ethoxybenzo[d]thiazol-2-yl)-4-hydroxyphenyl)acetamide
CID 2147563
N-[2-(1,3-benzothiazol-2-yl)phenyl]-5-bromofuran-2-carboxamide
CID 2215189

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]furan-2-carboxamide?
The IUPAC name of N-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]furan-2-carboxamide (CID 727020) is N-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]furan-2-carboxamide is O=C(Nc1ccc(O)c(-c2nc3ccccc3s2)c1)c1ccco1.
What is the InChIKey of N-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]furan-2-carboxamide?
The InChIKey is NXBBGLMSPOEUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O3S/c21-14-8-7-11(19-17(22)15-5-3-9-23-15)10-12(14)18-20-13-4-1-2-6-16(13)24-18/h1-10,21H,(H,19,22).
What are the key properties of N-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]furan-2-carboxamide?
N-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]furan-2-carboxamide has a molecular weight of 336.37 g/mol, XLogP of 4.51, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-benzothiazol-2-yl)-4-hydroxyphenyl]furan-2-carboxamide is sourced from PubChem (CID 727020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).