N-(furan-2-yl)-4H-1,4-benzothiazine-2-carboxamide

C13H10N2O2S — CID 18427448

IUPACN-(furan-2-yl)-4H-1,4-benzothiazine-2-carboxamide
SMILESO=C(Nc1ccco1)C1=CNc2ccccc2S1
InChIInChI=1S/C13H10N2O2S/c16-13(15-12-6-3-7-17-12)11-8-14-9-4-1-2-5-10(9)18-11/h1-8,14H,(H,15,16)
InChIKeyFENIMOAMQBHYQQ-UHFFFAOYSA-N
MW258.30 g/mol
LogP3.28
Rot. Bonds2

About N-(furan-2-yl)-4H-1,4-benzothiazine-2-carboxamide

N-(furan-2-yl)-4H-1,4-benzothiazine-2-carboxamide (PubChem CID 18427448) has the molecular formula C13H10N2O2S and a molecular weight of 258.30 g/mol. Its IUPAC name is N-(furan-2-yl)-4H-1,4-benzothiazine-2-carboxamide.

Molecular Properties

Compound NameN-(furan-2-yl)-4H-1,4-benzothiazine-2-carboxamide
PubChem CID18427448
Molecular FormulaC13H10N2O2S
Molecular Weight258.30 g/mol
Exact Mass258.05
IUPAC NameN-(furan-2-yl)-4H-1,4-benzothiazine-2-carboxamide
SMILESO=C(Nc1ccco1)C1=CNc2ccccc2S1
InChIInChI=1S/C13H10N2O2S/c16-13(15-12-6-3-7-17-12)11-8-14-9-4-1-2-5-10(9)18-11/h1-8,14H,(H,15,16)
InChIKeyFENIMOAMQBHYQQ-UHFFFAOYSA-N
XLogP3.28
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_thio_66_one(8)', 'substructure': 'N/A'}

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Related Compounds

1-amino-3-(furan-2-yl)urea
CID 11768663
1-(furan-2-yl)-3-(trifluoromethyl)urea
CID 151624320
propan-2-yl N-(furan-2-yl)carbamate
CID 12774670
N-(furan-2-yl)-4-(4-methylphenyl)-1,3-thiazole-2-carboxamide
CID 160948086
1-(furan-2-yl)-3-(3-methylbutyl)urea
CID 108868602
4-amino-N-(furan-2-ylcarbamoyl)benzamide
CID 108868549
ethylcarbamic acid;10H-phenothiazine
CID 57349508
N-(2-hydroxyphenyl)furan-2-carboxamide
CID 761889
1-(furan-2-yl)-3-pyrrolidin-3-ylurea
CID 117235239
1-(furan-2-yl)-3-(5-oxo-1,2-dihydropyrrol-3-yl)urea
CID 57072103
N-[(1R)-1-(furan-2-yl)ethyl]-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 9481930
1-benzyl-1-ethyl-3-(furan-2-yl)urea
CID 108868477

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-yl)-4H-1,4-benzothiazine-2-carboxamide?
The IUPAC name of N-(furan-2-yl)-4H-1,4-benzothiazine-2-carboxamide (CID 18427448) is N-(furan-2-yl)-4H-1,4-benzothiazine-2-carboxamide.
What is the SMILES notation for N-(furan-2-yl)-4H-1,4-benzothiazine-2-carboxamide?
The canonical SMILES for N-(furan-2-yl)-4H-1,4-benzothiazine-2-carboxamide is O=C(Nc1ccco1)C1=CNc2ccccc2S1.
What is the InChIKey of N-(furan-2-yl)-4H-1,4-benzothiazine-2-carboxamide?
The InChIKey is FENIMOAMQBHYQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2S/c16-13(15-12-6-3-7-17-12)11-8-14-9-4-1-2-5-10(9)18-11/h1-8,14H,(H,15,16).
What are the key properties of N-(furan-2-yl)-4H-1,4-benzothiazine-2-carboxamide?
N-(furan-2-yl)-4H-1,4-benzothiazine-2-carboxamide has a molecular weight of 258.30 g/mol, XLogP of 3.28, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-yl)-4H-1,4-benzothiazine-2-carboxamide is sourced from PubChem (CID 18427448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).