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

C24H19ClF2N4OS — CID 44909382

IUPACN-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)naphthalene-1-carboxamide;hydrochloride
SMILESCl.O=C(c1cccc2ccccc12)N(CCCn1ccnc1)c1nc2c(F)cc(F)cc2s1
InChIInChI=1S/C24H18F2N4OS.ClH/c25-17-13-20(26)22-21(14-17)32-24(28-22)30(11-4-10-29-12-9-27-15-29)23(31)19-8-3-6-16-5-1-2-7-18(16)19;/h1-3,5-9,12-15H,4,10-11H2;1H
InChIKeyNFWYKKLUPJJDSM-UHFFFAOYSA-N
MW484.96 g/mol
LogP6.08
Rot. Bonds6

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

N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)naphthalene-1-carboxamide;hydrochloride (PubChem CID 44909382) has the molecular formula C24H19ClF2N4OS and a molecular weight of 484.96 g/mol. Its IUPAC name is N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)naphthalene-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)naphthalene-1-carboxamide;hydrochloride
PubChem CID44909382
Molecular FormulaC24H19ClF2N4OS
Molecular Weight484.96 g/mol
Exact Mass484.09
IUPAC NameN-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)naphthalene-1-carboxamide;hydrochloride
SMILESCl.O=C(c1cccc2ccccc12)N(CCCn1ccnc1)c1nc2c(F)cc(F)cc2s1
InChIInChI=1S/C24H18F2N4OS.ClH/c25-17-13-20(26)22-21(14-17)32-24(28-22)30(11-4-10-29-12-9-27-15-29)23(31)19-8-3-6-16-5-1-2-7-18(16)19;/h1-3,5-9,12-15H,4,10-11H2;1H
InChIKeyNFWYKKLUPJJDSM-UHFFFAOYSA-N
XLogP6.08
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.96
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)naphthalene-1-carboxamide;hydrochloride 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-(3-imidazol-1-ylpropyl)-N-(4-methyl-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide;hydrochloride
CID 44908599
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-4-propan-2-ylsulfanylbenzamide;hydrochloride
CID 44909410
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)cyclohexanecarboxamide;hydrochloride
CID 44909366
N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-2-phenylacetamide
CID 16824153
2-chloro-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide;hydrochloride
CID 44935945
3-fluoro-N-(3-imidazol-1-ylpropyl)-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 18589825
N-[2-(diethylamino)ethyl]-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-fluorobenzamide;hydrochloride
CID 44927371
2-chloro-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]benzamide;hydrochloride
CID 44931448
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-iodo-N-(3-morpholin-4-ylpropyl)benzamide;hydrochloride
CID 44936018
N-(4-chloro-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-3-(trifluoromethyl)benzamide;hydrochloride
CID 44908437
N-(6-chloro-4-methyl-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)-4-phenylbenzamide;hydrochloride
CID 44910024
N-(3-imidazol-1-ylpropyl)-3-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide;hydrochloride
CID 44908562

Frequently Asked Questions

What is the IUPAC name of N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)naphthalene-1-carboxamide;hydrochloride?
The IUPAC name of N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)naphthalene-1-carboxamide;hydrochloride (CID 44909382) is N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)naphthalene-1-carboxamide;hydrochloride.
What is the SMILES notation for N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)naphthalene-1-carboxamide;hydrochloride?
The canonical SMILES for N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)naphthalene-1-carboxamide;hydrochloride is Cl.O=C(c1cccc2ccccc12)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)naphthalene-1-carboxamide;hydrochloride?
The InChIKey is NFWYKKLUPJJDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F2N4OS.ClH/c25-17-13-20(26)22-21(14-17)32-24(28-22)30(11-4-10-29-12-9-27-15-29)23(31)19-8-3-6-16-5-1-2-7-18(16)19;/h1-3,5-9,12-15H,4,10-11H2;1H.
What are the key properties of N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)naphthalene-1-carboxamide;hydrochloride?
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(3-imidazol-1-ylpropyl)naphthalene-1-carboxamide;hydrochloride has a molecular weight of 484.96 g/mol, XLogP of 6.08, 6 rotatable bonds, 0 hydrogen bond donors, and 5 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)naphthalene-1-carboxamide;hydrochloride is sourced from PubChem (CID 44909382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).