N-(6-bromo-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)furan-2-carboxamide

C18H12BrN3O2S — CID 41056072

IUPACN-(6-bromo-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)furan-2-carboxamide
SMILESO=C(c1ccco1)N(Cc1ccccn1)c1nc2ccc(Br)cc2s1
InChIInChI=1S/C18H12BrN3O2S/c19-12-6-7-14-16(10-12)25-18(21-14)22(11-13-4-1-2-8-20-13)17(23)15-5-3-9-24-15/h1-10H,11H2
InChIKeyKPRXOWRJCNSOPC-UHFFFAOYSA-N
MW414.28 g/mol
LogP4.89
Rot. Bonds4

About N-(6-bromo-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)furan-2-carboxamide

N-(6-bromo-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)furan-2-carboxamide (PubChem CID 41056072) has the molecular formula C18H12BrN3O2S and a molecular weight of 414.28 g/mol. Its IUPAC name is N-(6-bromo-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(6-bromo-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)furan-2-carboxamide
PubChem CID41056072
Molecular FormulaC18H12BrN3O2S
Molecular Weight414.28 g/mol
Exact Mass412.98
IUPAC NameN-(6-bromo-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)furan-2-carboxamide
SMILESO=C(c1ccco1)N(Cc1ccccn1)c1nc2ccc(Br)cc2s1
InChIInChI=1S/C18H12BrN3O2S/c19-12-6-7-14-16(10-12)25-18(21-14)22(11-13-4-1-2-8-20-13)17(23)15-5-3-9-24-15/h1-10H,11H2
InChIKeyKPRXOWRJCNSOPC-UHFFFAOYSA-N
XLogP4.89
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.28
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-bromo-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)naphthalene-2-carboxamide
CID 41056101
N-(6-bromo-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)benzamide
CID 43986023
N-(6-bromo-1,3-benzothiazol-2-yl)-1,5-dimethyl-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide
CID 16952550
4-bromo-N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 41055745
5-bromo-2-chloro-N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 43986482
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)furan-2-carboxamide
CID 40519434
N-(6-bromo-1,3-benzothiazol-2-yl)-2-methyl-N-(pyridin-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 43987145
5-bromo-2-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 43986481
N-(1,3-benzothiazol-2-yl)-4-bromo-N-(pyridin-2-ylmethyl)benzamide
CID 41004756
N-(6-bromo-1,3-benzothiazol-2-yl)-2,6-dimethoxy-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 43987163
2-(benzotriazol-1-yl)-N-(6-bromo-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 43987159
N-(6-methyl-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)-1,2-oxazole-5-carboxamide
CID 41180061

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)furan-2-carboxamide?
The IUPAC name of N-(6-bromo-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)furan-2-carboxamide (CID 41056072) is N-(6-bromo-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for N-(6-bromo-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)furan-2-carboxamide?
The canonical SMILES for N-(6-bromo-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)furan-2-carboxamide is O=C(c1ccco1)N(Cc1ccccn1)c1nc2ccc(Br)cc2s1.
What is the InChIKey of N-(6-bromo-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)furan-2-carboxamide?
The InChIKey is KPRXOWRJCNSOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrN3O2S/c19-12-6-7-14-16(10-12)25-18(21-14)22(11-13-4-1-2-8-20-13)17(23)15-5-3-9-24-15/h1-10H,11H2.
What are the key properties of N-(6-bromo-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)furan-2-carboxamide?
N-(6-bromo-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)furan-2-carboxamide has a molecular weight of 414.28 g/mol, XLogP of 4.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 41056072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).