N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)furan-2-carboxamide

C14H9N3O2S3 — CID 4646592

IUPACN-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)furan-2-carboxamide
SMILESCSc1nc2ccc3nc(NC(=O)c4ccco4)sc3c2s1
InChIInChI=1S/C14H9N3O2S3/c1-20-14-16-8-5-4-7-10(11(8)22-14)21-13(15-7)17-12(18)9-3-2-6-19-9/h2-6H,1H3,(H,15,17,18)
InChIKeyLFSFZGXABLTIEJ-UHFFFAOYSA-N
MW347.45 g/mol
LogP4.47
Rot. Bonds3

About N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)furan-2-carboxamide

N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)furan-2-carboxamide (PubChem CID 4646592) has the molecular formula C14H9N3O2S3 and a molecular weight of 347.45 g/mol. Its IUPAC name is N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)furan-2-carboxamide
PubChem CID4646592
Molecular FormulaC14H9N3O2S3
Molecular Weight347.45 g/mol
Exact Mass346.99
IUPAC NameN-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)furan-2-carboxamide
SMILESCSc1nc2ccc3nc(NC(=O)c4ccco4)sc3c2s1
InChIInChI=1S/C14H9N3O2S3/c1-20-14-16-8-5-4-7-10(11(8)22-14)21-13(15-7)17-12(18)9-3-2-6-19-9/h2-6H,1H3,(H,15,17,18)
InChIKeyLFSFZGXABLTIEJ-UHFFFAOYSA-N
XLogP4.47
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.45
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(6-Ethoxy-2-benzothiazolyl)-2-furancarboxamide
CID 739343
N-(6-ethoxy-1,3-benzothiazol-2-yl)-5-methylfuran-2-carboxamide
CID 844341
N-(furan-2-ylmethyl)-1,3-benzothiazol-2-amine
CID 944851
N-(6-methoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 670717
N-(6-acetamido-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 958627
N-(6-acetamido-1,3-benzothiazol-2-yl)-5-nitrofuran-2-carboxamide
CID 3157809
N-(1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 715680
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 702340
N-(6-bromo-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 896391
N-(1,3-benzothiazol-2-yl)-N-(2-methylpropyl)furan-2-carboxamide
CID 2414029
N-(4,5,6-trifluoro-1,3-benzothiazol-2-yl)-2-furancarboxamide
CID 2445991
N-(6-methyl-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 739613

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)furan-2-carboxamide?
The IUPAC name of N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)furan-2-carboxamide (CID 4646592) is N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)furan-2-carboxamide.
What is the SMILES notation for N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)furan-2-carboxamide?
The canonical SMILES for N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)furan-2-carboxamide is CSc1nc2ccc3nc(NC(=O)c4ccco4)sc3c2s1.
What is the InChIKey of N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)furan-2-carboxamide?
The InChIKey is LFSFZGXABLTIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3O2S3/c1-20-14-16-8-5-4-7-10(11(8)22-14)21-13(15-7)17-12(18)9-3-2-6-19-9/h2-6H,1H3,(H,15,17,18).
What are the key properties of N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)furan-2-carboxamide?
N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)furan-2-carboxamide has a molecular weight of 347.45 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)furan-2-carboxamide is sourced from PubChem (CID 4646592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).