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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1,3-benzothiazol-2-yl)-N-(2-methylpropyl)furan-2-carboxamide
CID 2414029
N-(4-methylbenzo[d]thiazol-2-yl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 16032587
5-(1,3-benzothiazol-2-yl)-N-(5-methyl-1,3-thiazol-2-yl)furan-2-carboxamide
CID 2555366
N-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]furan-2-carboxamide
CID 4321359
(6-(4-Fluorophenyl)-3-methylimidazo[2,1-b]thiazol-2-yl)(4-(furan-2-carbonyl)piperazin-1-yl)methanone
CID 5310375
(4-(4,6-Difluorobenzo[d]thiazol-2-yl)piperazin-1-yl)(furan-2-yl)methanone
CID 7292657
N-(6-methoxybenzo[d]thiazol-2-yl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 16032471
N-(6-fluorobenzo[d]thiazol-2-yl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 16032526
N-(4-methoxybenzo[d]thiazol-2-yl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 16032616
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-furamide
CID 16193436
N-(3-(dimethylamino)propyl)-N-(4-fluorobenzo[d]thiazol-2-yl)furan-2-carboxamide hydrochloride
CID 16194894
N-(3-(1H-imidazol-1-yl)propyl)-N-(4,5-dimethylbenzo[d]thiazol-2-yl)furan-2-carboxamide hydrochloride
CID 16824260

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).