N-[[4-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclohexyl]methyl]propane-2-sulfonamide

C17H24FN3O2S2 — CID 42601981

IUPACN-[[4-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclohexyl]methyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCC1CCC(Nc2nc3ccc(F)cc3s2)CC1
InChIInChI=1S/C17H24FN3O2S2/c1-11(2)25(22,23)19-10-12-3-6-14(7-4-12)20-17-21-15-8-5-13(18)9-16(15)24-17/h5,8-9,11-12,14,19H,3-4,6-7,10H2,1-2H3,(H,20,21)
InChIKeyXKZNHDSJPVIQJF-UHFFFAOYSA-N
MW385.53 g/mol
LogP3.73
Rot. Bonds6

About N-[[4-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclohexyl]methyl]propane-2-sulfonamide

N-[[4-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclohexyl]methyl]propane-2-sulfonamide (PubChem CID 42601981) has the molecular formula C17H24FN3O2S2 and a molecular weight of 385.53 g/mol. Its IUPAC name is N-[[4-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclohexyl]methyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[[4-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclohexyl]methyl]propane-2-sulfonamide
PubChem CID42601981
Molecular FormulaC17H24FN3O2S2
Molecular Weight385.53 g/mol
Exact Mass385.13
IUPAC NameN-[[4-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclohexyl]methyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCC1CCC(Nc2nc3ccc(F)cc3s2)CC1
InChIInChI=1S/C17H24FN3O2S2/c1-11(2)25(22,23)19-10-12-3-6-14(7-4-12)20-17-21-15-8-5-13(18)9-16(15)24-17/h5,8-9,11-12,14,19H,3-4,6-7,10H2,1-2H3,(H,20,21)
InChIKeyXKZNHDSJPVIQJF-UHFFFAOYSA-N
XLogP3.73
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.53
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[4-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclohexyl]methyl]propane-2-sulfonamide with MolForge

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Related Compounds

1-N-(6-fluoro-1,3-benzothiazol-2-yl)cyclobutane-1,3-diamine
CID 86694226
N-cyclopropyl-6-methoxy-1,3-benzothiazol-2-amine
CID 78908963
N-cyclopropyl-6-ethoxy-1,3-benzothiazol-2-amine
CID 78908969
[(3R)-3-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclopentyl]-(2-methoxy-5-methylphenyl)methanone
CID 143823679
N-cyclopentyl-6-fluoro-1,3-benzothiazol-2-amine;2,6-difluorobenzamide
CID 144829885
2-N-(4-methylcyclohexyl)-1,3-benzothiazole-2,6-diamine
CID 63231366
6-bromo-N-cyclopropyl-1,3-benzothiazol-2-amine
CID 45496579
N-[4-[(ethylsulfamoylamino)methyl]cyclohexyl]-6-fluoro-1,3-benzoxazol-2-amine
CID 53345452
2-methylpropyl 2-(cyclohexylamino)-1,3-benzothiazole-6-carboxylate
CID 82549738
N-[4-[[4-amino-5-(3-fluorobenzoyl)-1,3-thiazol-2-yl]amino]cyclohexyl]-2-methylpropane-1-sulfonamide
CID 122480164
N-(2,3-dimethylbutyl)-6-fluoro-1,3-benzothiazol-2-amine
CID 79144067
N-(6-fluoro-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
CID 4228851

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclohexyl]methyl]propane-2-sulfonamide?
The IUPAC name of N-[[4-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclohexyl]methyl]propane-2-sulfonamide (CID 42601981) is N-[[4-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclohexyl]methyl]propane-2-sulfonamide.
What is the SMILES notation for N-[[4-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclohexyl]methyl]propane-2-sulfonamide?
The canonical SMILES for N-[[4-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclohexyl]methyl]propane-2-sulfonamide is CC(C)S(=O)(=O)NCC1CCC(Nc2nc3ccc(F)cc3s2)CC1.
What is the InChIKey of N-[[4-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclohexyl]methyl]propane-2-sulfonamide?
The InChIKey is XKZNHDSJPVIQJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O2S2/c1-11(2)25(22,23)19-10-12-3-6-14(7-4-12)20-17-21-15-8-5-13(18)9-16(15)24-17/h5,8-9,11-12,14,19H,3-4,6-7,10H2,1-2H3,(H,20,21).
What are the key properties of N-[[4-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclohexyl]methyl]propane-2-sulfonamide?
N-[[4-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclohexyl]methyl]propane-2-sulfonamide has a molecular weight of 385.53 g/mol, XLogP of 3.73, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(6-fluoro-1,3-benzothiazol-2-yl)amino]cyclohexyl]methyl]propane-2-sulfonamide is sourced from PubChem (CID 42601981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).