N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)furan-2-carboxamide

C18H14F2N4O2S — CID 16824225

IUPACN-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)furan-2-carboxamide
SMILESO=C(c1ccco1)N(CCCn1ccnc1)c1nc2c(F)cc(F)cc2s1
InChIInChI=1S/C18H14F2N4O2S/c19-12-9-13(20)16-15(10-12)27-18(22-16)24(17(25)14-3-1-8-26-14)6-2-5-23-7-4-21-11-23/h1,3-4,7-11H,2,5-6H2
InChIKeyBBESJIXJNUFHIQ-UHFFFAOYSA-N
MW388.40 g/mol
LogP4.10
Rot. Bonds6

About N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)furan-2-carboxamide

N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)furan-2-carboxamide (PubChem CID 16824225) has the molecular formula C18H14F2N4O2S and a molecular weight of 388.40 g/mol. Its IUPAC name is N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)furan-2-carboxamide
PubChem CID16824225
Molecular FormulaC18H14F2N4O2S
Molecular Weight388.40 g/mol
Exact Mass388.08
IUPAC NameN-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)furan-2-carboxamide
SMILESO=C(c1ccco1)N(CCCn1ccnc1)c1nc2c(F)cc(F)cc2s1
InChIInChI=1S/C18H14F2N4O2S/c19-12-9-13(20)16-15(10-12)27-18(22-16)24(17(25)14-3-1-8-26-14)6-2-5-23-7-4-21-11-23/h1,3-4,7-11H,2,5-6H2
InChIKeyBBESJIXJNUFHIQ-UHFFFAOYSA-N
XLogP4.10
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.40
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)furan-2-carboxamide?
The IUPAC name of N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)furan-2-carboxamide (CID 16824225) is N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)furan-2-carboxamide.
What is the SMILES notation for N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)furan-2-carboxamide?
The canonical SMILES for N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)furan-2-carboxamide is O=C(c1ccco1)N(CCCn1ccnc1)c1nc2c(F)cc(F)cc2s1.
What is the InChIKey of N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)furan-2-carboxamide?
The InChIKey is BBESJIXJNUFHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N4O2S/c19-12-9-13(20)16-15(10-12)27-18(22-16)24(17(25)14-3-1-8-26-14)6-2-5-23-7-4-21-11-23/h1,3-4,7-11H,2,5-6H2.
What are the key properties of N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)furan-2-carboxamide?
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)furan-2-carboxamide has a molecular weight of 388.40 g/mol, XLogP of 4.10, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)furan-2-carboxamide is sourced from PubChem (CID 16824225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).