N-(2-methyl-1,3-benzothiazol-5-yl)-5-sulfamoylfuran-2-carboxamide

C13H11N3O4S2 — CID 112525636

IUPACN-(2-methyl-1,3-benzothiazol-5-yl)-5-sulfamoylfuran-2-carboxamide
SMILESCc1nc2cc(NC(=O)c3ccc(S(N)(=O)=O)o3)ccc2s1
InChIInChI=1S/C13H11N3O4S2/c1-7-15-9-6-8(2-4-11(9)21-7)16-13(17)10-3-5-12(20-10)22(14,18)19/h2-6H,1H3,(H,16,17)(H2,14,18,19)
InChIKeyMUKYRKHEMRBJCA-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.10
Rot. Bonds3

About N-(2-methyl-1,3-benzothiazol-5-yl)-5-sulfamoylfuran-2-carboxamide

N-(2-methyl-1,3-benzothiazol-5-yl)-5-sulfamoylfuran-2-carboxamide (PubChem CID 112525636) has the molecular formula C13H11N3O4S2 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-(2-methyl-1,3-benzothiazol-5-yl)-5-sulfamoylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-1,3-benzothiazol-5-yl)-5-sulfamoylfuran-2-carboxamide
PubChem CID112525636
Molecular FormulaC13H11N3O4S2
Molecular Weight337.38 g/mol
Exact Mass337.02
IUPAC NameN-(2-methyl-1,3-benzothiazol-5-yl)-5-sulfamoylfuran-2-carboxamide
SMILESCc1nc2cc(NC(=O)c3ccc(S(N)(=O)=O)o3)ccc2s1
InChIInChI=1S/C13H11N3O4S2/c1-7-15-9-6-8(2-4-11(9)21-7)16-13(17)10-3-5-12(20-10)22(14,18)19/h2-6H,1H3,(H,16,17)(H2,14,18,19)
InChIKeyMUKYRKHEMRBJCA-UHFFFAOYSA-N
XLogP2.10
TPSA115.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)furan-2-carboxamide
CID 4800129
5-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)-1,3-oxazole-2-carboxamide
CID 112525625
1-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)pyrazole-3-carboxamide
CID 42110934
1-(3,4-dihydroxyphenyl)-3-(2-methyl-1,3-benzothiazol-5-yl)urea
CID 142259708
N-(2-methyl-1,3-benzothiazol-5-yl)thiophene-2-carboxamide
CID 110442376
N-(4-acetylphenyl)-5-sulfamoylfuran-2-carboxamide
CID 84575705
N-(1-methyl-2,3-dihydroindol-5-yl)-5-sulfamoylfuran-2-carboxamide
CID 112523453
N-(2-methyl-1,3-benzothiazol-5-yl)-7,8-dihydro-5H-pyrano[4,3-c]pyridazine-3-carboxamide
CID 154583818
3-fluoro-4-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)benzamide
CID 11301035
N-(2-methyl-1,3-benzothiazol-5-yl)-4-morpholin-4-ylsulfonylbenzamide
CID 4616787
N-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-5-sulfamoylfuran-2-carboxamide
CID 112523527
3-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)butanamide
CID 110442147

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1,3-benzothiazol-5-yl)-5-sulfamoylfuran-2-carboxamide?
The IUPAC name of N-(2-methyl-1,3-benzothiazol-5-yl)-5-sulfamoylfuran-2-carboxamide (CID 112525636) is N-(2-methyl-1,3-benzothiazol-5-yl)-5-sulfamoylfuran-2-carboxamide.
What is the SMILES notation for N-(2-methyl-1,3-benzothiazol-5-yl)-5-sulfamoylfuran-2-carboxamide?
The canonical SMILES for N-(2-methyl-1,3-benzothiazol-5-yl)-5-sulfamoylfuran-2-carboxamide is Cc1nc2cc(NC(=O)c3ccc(S(N)(=O)=O)o3)ccc2s1.
What is the InChIKey of N-(2-methyl-1,3-benzothiazol-5-yl)-5-sulfamoylfuran-2-carboxamide?
The InChIKey is MUKYRKHEMRBJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O4S2/c1-7-15-9-6-8(2-4-11(9)21-7)16-13(17)10-3-5-12(20-10)22(14,18)19/h2-6H,1H3,(H,16,17)(H2,14,18,19).
What are the key properties of N-(2-methyl-1,3-benzothiazol-5-yl)-5-sulfamoylfuran-2-carboxamide?
N-(2-methyl-1,3-benzothiazol-5-yl)-5-sulfamoylfuran-2-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1,3-benzothiazol-5-yl)-5-sulfamoylfuran-2-carboxamide is sourced from PubChem (CID 112525636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).