N-([1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)furan-3-carboxamide

C13H7N3O2S2 — CID 90606203

IUPACN-([1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)furan-3-carboxamide
SMILESO=C(Nc1nc2ccc3ncsc3c2s1)c1ccoc1
InChIInChI=1S/C13H7N3O2S2/c17-12(7-3-4-18-5-7)16-13-15-9-2-1-8-10(11(9)20-13)19-6-14-8/h1-6H,(H,15,16,17)
InChIKeySEHBYMWXELARRI-UHFFFAOYSA-N
MW301.35 g/mol
LogP3.75
Rot. Bonds2

About N-([1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)furan-3-carboxamide

N-([1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)furan-3-carboxamide (PubChem CID 90606203) has the molecular formula C13H7N3O2S2 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-([1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)furan-3-carboxamide.

Molecular Properties

Compound NameN-([1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)furan-3-carboxamide
PubChem CID90606203
Molecular FormulaC13H7N3O2S2
Molecular Weight301.35 g/mol
Exact Mass301.00
IUPAC NameN-([1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)furan-3-carboxamide
SMILESO=C(Nc1nc2ccc3ncsc3c2s1)c1ccoc1
InChIInChI=1S/C13H7N3O2S2/c17-12(7-3-4-18-5-7)16-13-15-9-2-1-8-10(11(9)20-13)19-6-14-8/h1-6H,(H,15,16,17)
InChIKeySEHBYMWXELARRI-UHFFFAOYSA-N
XLogP3.75
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-([1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)-4-(trifluoromethyl)benzamide
CID 90606185
N-([1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)pyrimidine-2-carboxamide
CID 90606206
N-([1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)-3-(trifluoromethyl)benzamide
CID 90606188
2-(furan-3-carbonylamino)-1,3-benzothiazole-6-carboxylic acid
CID 65348957
N-[5-(dihydroxyamino)-1,3-thiazol-2-yl]furan-3-carboxamide
CID 88587269
N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)furan-3-carboxamide
CID 39189427
2-[2-(furan-3-carbonylamino)-1,3-thiazol-4-yl]acetic acid
CID 16774692
N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]furan-3-carboxamide
CID 18102185
N-(4-thiophen-2-yl-1,3-thiazol-2-yl)furan-3-carboxamide
CID 31845736
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]furan-3-carboxamide
CID 18102049
N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-1,3-benzothiazole-6-carboxamide
CID 7203043
N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]furan-3-carboxamide
CID 31847833

Frequently Asked Questions

What is the IUPAC name of N-([1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)furan-3-carboxamide?
The IUPAC name of N-([1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)furan-3-carboxamide (CID 90606203) is N-([1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)furan-3-carboxamide.
What is the SMILES notation for N-([1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)furan-3-carboxamide?
The canonical SMILES for N-([1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)furan-3-carboxamide is O=C(Nc1nc2ccc3ncsc3c2s1)c1ccoc1.
What is the InChIKey of N-([1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)furan-3-carboxamide?
The InChIKey is SEHBYMWXELARRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7N3O2S2/c17-12(7-3-4-18-5-7)16-13-15-9-2-1-8-10(11(9)20-13)19-6-14-8/h1-6H,(H,15,16,17).
What are the key properties of N-([1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)furan-3-carboxamide?
N-([1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)furan-3-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-([1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)furan-3-carboxamide is sourced from PubChem (CID 90606203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).