N-(4,7-dichloro-1,3-benzothiazol-2-yl)furan-2-carboxamide

C12H6Cl2N2O2S — CID 2159269

IUPACN-(4,7-dichloro-1,3-benzothiazol-2-yl)furan-2-carboxamide
SMILESO=C(Nc1nc2c(Cl)ccc(Cl)c2s1)c1ccco1
InChIInChI=1S/C12H6Cl2N2O2S/c13-6-3-4-7(14)10-9(6)15-12(19-10)16-11(17)8-2-1-5-18-8/h1-5H,(H,15,16,17)
InChIKeyYLAUXMILRJAHJC-UHFFFAOYSA-N
MW313.17 g/mol
LogP4.45
Rot. Bonds2

About N-(4,7-dichloro-1,3-benzothiazol-2-yl)furan-2-carboxamide

N-(4,7-dichloro-1,3-benzothiazol-2-yl)furan-2-carboxamide (PubChem CID 2159269) has the molecular formula C12H6Cl2N2O2S and a molecular weight of 313.17 g/mol. Its IUPAC name is N-(4,7-dichloro-1,3-benzothiazol-2-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(4,7-dichloro-1,3-benzothiazol-2-yl)furan-2-carboxamide
PubChem CID2159269
Molecular FormulaC12H6Cl2N2O2S
Molecular Weight313.17 g/mol
Exact Mass311.95
IUPAC NameN-(4,7-dichloro-1,3-benzothiazol-2-yl)furan-2-carboxamide
SMILESO=C(Nc1nc2c(Cl)ccc(Cl)c2s1)c1ccco1
InChIInChI=1S/C12H6Cl2N2O2S/c13-6-3-4-7(14)10-9(6)15-12(19-10)16-11(17)8-2-1-5-18-8/h1-5H,(H,15,16,17)
InChIKeyYLAUXMILRJAHJC-UHFFFAOYSA-N
XLogP4.45
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.17
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 715680
N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 834435
N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-2-furamide
CID 952748
N-(4,5,6-trifluoro-1,3-benzothiazol-2-yl)-2-furancarboxamide
CID 2445991
5-bromo-N-(4-chloro-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 666312
N-(6-chloro-1,3-benzothiazol-2-yl)-5-methylfuran-2-carboxamide
CID 844224
N-(4-chloro-1,3-benzothiazol-2-yl)-5-nitrofuran-2-carboxamide
CID 958637
N-(4,6-difluoro-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 2385407
N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 3617877
N-[5-[2-(2,4-dichloroanilino)-4-thiazolyl]-4-methyl-2-thiazolyl]-2-furancarboxamide
CID 11958801
N-{[(6-fluoro-1,3-benzothiazol-2-yl)amino]carbonothioyl}-2-furamide
CID 953520
5-bromo-N-(6-chloro-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 997681

Frequently Asked Questions

What is the IUPAC name of N-(4,7-dichloro-1,3-benzothiazol-2-yl)furan-2-carboxamide?
The IUPAC name of N-(4,7-dichloro-1,3-benzothiazol-2-yl)furan-2-carboxamide (CID 2159269) is N-(4,7-dichloro-1,3-benzothiazol-2-yl)furan-2-carboxamide.
What is the SMILES notation for N-(4,7-dichloro-1,3-benzothiazol-2-yl)furan-2-carboxamide?
The canonical SMILES for N-(4,7-dichloro-1,3-benzothiazol-2-yl)furan-2-carboxamide is O=C(Nc1nc2c(Cl)ccc(Cl)c2s1)c1ccco1.
What is the InChIKey of N-(4,7-dichloro-1,3-benzothiazol-2-yl)furan-2-carboxamide?
The InChIKey is YLAUXMILRJAHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl2N2O2S/c13-6-3-4-7(14)10-9(6)15-12(19-10)16-11(17)8-2-1-5-18-8/h1-5H,(H,15,16,17).
What are the key properties of N-(4,7-dichloro-1,3-benzothiazol-2-yl)furan-2-carboxamide?
N-(4,7-dichloro-1,3-benzothiazol-2-yl)furan-2-carboxamide has a molecular weight of 313.17 g/mol, XLogP of 4.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,7-dichloro-1,3-benzothiazol-2-yl)furan-2-carboxamide is sourced from PubChem (CID 2159269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).