N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)furan-2-carboxamide

C18H15FN4O2S — CID 16824185

IUPACN-(6-fluoro-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)furan-2-carboxamide
SMILESO=C(c1ccco1)N(CCCn1ccnc1)c1nc2ccc(F)cc2s1
InChIInChI=1S/C18H15FN4O2S/c19-13-4-5-14-16(11-13)26-18(21-14)23(17(24)15-3-1-10-25-15)8-2-7-22-9-6-20-12-22/h1,3-6,9-12H,2,7-8H2
InChIKeyLDNZRRNTSQVOQM-UHFFFAOYSA-N
MW370.41 g/mol
LogP3.96
Rot. Bonds6

About N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)furan-2-carboxamide

N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)furan-2-carboxamide (PubChem CID 16824185) has the molecular formula C18H15FN4O2S and a molecular weight of 370.41 g/mol. Its IUPAC name is N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(6-fluoro-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)furan-2-carboxamide
PubChem CID16824185
Molecular FormulaC18H15FN4O2S
Molecular Weight370.41 g/mol
Exact Mass370.09
IUPAC NameN-(6-fluoro-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)furan-2-carboxamide
SMILESO=C(c1ccco1)N(CCCn1ccnc1)c1nc2ccc(F)cc2s1
InChIInChI=1S/C18H15FN4O2S/c19-13-4-5-14-16(11-13)26-18(21-14)23(17(24)15-3-1-10-25-15)8-2-7-22-9-6-20-12-22/h1,3-6,9-12H,2,7-8H2
InChIKeyLDNZRRNTSQVOQM-UHFFFAOYSA-N
XLogP3.96
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-chloro-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)furan-2-carboxamide;hydrochloride
CID 16824180
N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(2-pyrazol-1-ylethyl)furan-2-carboxamide
CID 30461427
N-[2-(diethylamino)ethyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)furan-2-carboxamide;hydrochloride
CID 16808541
N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)furan-2-carboxamide;hydrochloride
CID 18589956
N-(3-imidazol-1-ylpropyl)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride
CID 44909045
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)acetamide
CID 16824221
4-benzyl-N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)benzamide;hydrochloride
CID 44909161
N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)thiophene-2-carboxamide
CID 18589895
N-(3-imidazol-1-ylpropyl)-3-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide;hydrochloride
CID 44909209
3-fluoro-N-(3-imidazol-1-ylpropyl)-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 18589825
N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-5-carboxamide
CID 25284148
N-(1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-3,5-dimethoxybenzamide
CID 18589785

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)furan-2-carboxamide?
The IUPAC name of N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)furan-2-carboxamide (CID 16824185) is N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)furan-2-carboxamide.
What is the SMILES notation for N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)furan-2-carboxamide?
The canonical SMILES for N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)furan-2-carboxamide is O=C(c1ccco1)N(CCCn1ccnc1)c1nc2ccc(F)cc2s1.
What is the InChIKey of N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)furan-2-carboxamide?
The InChIKey is LDNZRRNTSQVOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O2S/c19-13-4-5-14-16(11-13)26-18(21-14)23(17(24)15-3-1-10-25-15)8-2-7-22-9-6-20-12-22/h1,3-6,9-12H,2,7-8H2.
What are the key properties of N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)furan-2-carboxamide?
N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)furan-2-carboxamide has a molecular weight of 370.41 g/mol, XLogP of 3.96, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)furan-2-carboxamide is sourced from PubChem (CID 16824185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).