N-(1,3-benzothiazol-6-yl)-5-chlorofuran-2-carboxamide

C12H7ClN2O2S — CID 113223158

IUPACN-(1,3-benzothiazol-6-yl)-5-chlorofuran-2-carboxamide
SMILESO=C(Nc1ccc2ncsc2c1)c1ccc(Cl)o1
InChIInChI=1S/C12H7ClN2O2S/c13-11-4-3-9(17-11)12(16)15-7-1-2-8-10(5-7)18-6-14-8/h1-6H,(H,15,16)
InChIKeySLCLBBKAQSRGPE-UHFFFAOYSA-N
MW278.72 g/mol
LogP3.80
Rot. Bonds2

About N-(1,3-benzothiazol-6-yl)-5-chlorofuran-2-carboxamide

N-(1,3-benzothiazol-6-yl)-5-chlorofuran-2-carboxamide (PubChem CID 113223158) has the molecular formula C12H7ClN2O2S and a molecular weight of 278.72 g/mol. Its IUPAC name is N-(1,3-benzothiazol-6-yl)-5-chlorofuran-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-6-yl)-5-chlorofuran-2-carboxamide
PubChem CID113223158
Molecular FormulaC12H7ClN2O2S
Molecular Weight278.72 g/mol
Exact Mass277.99
IUPAC NameN-(1,3-benzothiazol-6-yl)-5-chlorofuran-2-carboxamide
SMILESO=C(Nc1ccc2ncsc2c1)c1ccc(Cl)o1
InChIInChI=1S/C12H7ClN2O2S/c13-11-4-3-9(17-11)12(16)15-7-1-2-8-10(5-7)18-6-14-8/h1-6H,(H,15,16)
InChIKeySLCLBBKAQSRGPE-UHFFFAOYSA-N
XLogP3.80
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.72
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzothiazol-6-yl)-5-morpholin-4-ylsulfonylfuran-2-carboxamide
CID 112525792
N-(1,3-benzothiazol-6-yl)-1-benzofuran-2-carboxamide
CID 16858046
N-(1,3-benzothiazol-6-yl)-3,5-dihydroxybenzamide
CID 104938868
N-(1,3-benzothiazol-6-yl)-5-(methylamino)pyridine-2-carboxamide
CID 107801394
N-(1,3-benzothiazol-6-yl)-4-methylbenzamide
CID 2337792
6-amino-N-(1,3-benzothiazol-6-yl)pyridazine-3-carboxamide
CID 107801365
N-(1,3-benzothiazol-6-yl)-4-chloro-6-methylpyridine-3-carboxamide
CID 103893877
4-[(5-chlorofuran-2-carbonyl)amino]pyridine-2-carboxylic acid
CID 55244586
2-amino-N-(1,3-benzothiazol-6-yl)-2-methylpropanamide
CID 83634070
methyl 2-(1,3-benzothiazol-6-ylamino)-2-oxoacetate
CID 107800350
N-[4-(bromomethyl)phenyl]-5-chlorofuran-2-carboxamide
CID 106690051
N-(1,3-benzothiazol-6-yl)-3-bromo-4-fluorobenzamide
CID 103706835

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-6-yl)-5-chlorofuran-2-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-6-yl)-5-chlorofuran-2-carboxamide (CID 113223158) is N-(1,3-benzothiazol-6-yl)-5-chlorofuran-2-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-6-yl)-5-chlorofuran-2-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-6-yl)-5-chlorofuran-2-carboxamide is O=C(Nc1ccc2ncsc2c1)c1ccc(Cl)o1.
What is the InChIKey of N-(1,3-benzothiazol-6-yl)-5-chlorofuran-2-carboxamide?
The InChIKey is SLCLBBKAQSRGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClN2O2S/c13-11-4-3-9(17-11)12(16)15-7-1-2-8-10(5-7)18-6-14-8/h1-6H,(H,15,16).
What are the key properties of N-(1,3-benzothiazol-6-yl)-5-chlorofuran-2-carboxamide?
N-(1,3-benzothiazol-6-yl)-5-chlorofuran-2-carboxamide has a molecular weight of 278.72 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-6-yl)-5-chlorofuran-2-carboxamide is sourced from PubChem (CID 113223158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).