5-fluoro-2-[(1-propylpiperidin-4-yl)amino]benzenecarbothioamide

C15H22FN3S — CID 63674899

IUPAC5-fluoro-2-[(1-propylpiperidin-4-yl)amino]benzenecarbothioamide
SMILESCCCN1CCC(Nc2ccc(F)cc2C(N)=S)CC1
InChIInChI=1S/C15H22FN3S/c1-2-7-19-8-5-12(6-9-19)18-14-4-3-11(16)10-13(14)15(17)20/h3-4,10,12,18H,2,5-9H2,1H3,(H2,17,20)
InChIKeyUNVBUYZZQZAGLO-UHFFFAOYSA-N
MW295.43 g/mol
LogP2.75
Rot. Bonds5

About 5-fluoro-2-[(1-propylpiperidin-4-yl)amino]benzenecarbothioamide

5-fluoro-2-[(1-propylpiperidin-4-yl)amino]benzenecarbothioamide (PubChem CID 63674899) has the molecular formula C15H22FN3S and a molecular weight of 295.43 g/mol. Its IUPAC name is 5-fluoro-2-[(1-propylpiperidin-4-yl)amino]benzenecarbothioamide.

Molecular Properties

Compound Name5-fluoro-2-[(1-propylpiperidin-4-yl)amino]benzenecarbothioamide
PubChem CID63674899
Molecular FormulaC15H22FN3S
Molecular Weight295.43 g/mol
Exact Mass295.15
IUPAC Name5-fluoro-2-[(1-propylpiperidin-4-yl)amino]benzenecarbothioamide
SMILESCCCN1CCC(Nc2ccc(F)cc2C(N)=S)CC1
InChIInChI=1S/C15H22FN3S/c1-2-7-19-8-5-12(6-9-19)18-14-4-3-11(16)10-13(14)15(17)20/h3-4,10,12,18H,2,5-9H2,1H3,(H2,17,20)
InChIKeyUNVBUYZZQZAGLO-UHFFFAOYSA-N
XLogP2.75
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2-[(1-propylpiperidin-4-yl)amino]benzenecarbothioamide
CID 114891528
5-fluoro-2-[(4-methylcyclohexyl)amino]benzenecarbothioamide
CID 63673517
2-fluoro-6-[(1-propylpiperidin-4-yl)amino]benzenecarbothioamide
CID 79513789
N-(5-fluoro-2-methylphenyl)-1-propylazepan-4-amine
CID 65072389
N-(4-chloro-2-fluorophenyl)-1-propylpiperidin-4-amine
CID 43716478
N-(5-fluoro-2-nitrophenyl)-1-propylpiperidin-4-amine
CID 62375924
4-amino-3-[(1-propylpiperidin-4-yl)amino]benzamide
CID 63356906
4-[(1-propylpiperidin-4-yl)amino]pyridine-2-carbothioamide
CID 55157619
5-fluoro-3-N-(1-propylpiperidin-4-yl)benzene-1,3-diamine
CID 54963571
2,6-dimethyl-3-[(1-propylpiperidin-4-yl)amino]phenol
CID 43741721
5-fluoro-2-[(5-oxopyrrolidin-3-yl)amino]benzenecarbothioamide
CID 106189261
2-[2-[(1-propylpiperidin-4-yl)amino]phenyl]acetamide
CID 43738460

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[(1-propylpiperidin-4-yl)amino]benzenecarbothioamide?
The IUPAC name of 5-fluoro-2-[(1-propylpiperidin-4-yl)amino]benzenecarbothioamide (CID 63674899) is 5-fluoro-2-[(1-propylpiperidin-4-yl)amino]benzenecarbothioamide.
What is the SMILES notation for 5-fluoro-2-[(1-propylpiperidin-4-yl)amino]benzenecarbothioamide?
The canonical SMILES for 5-fluoro-2-[(1-propylpiperidin-4-yl)amino]benzenecarbothioamide is CCCN1CCC(Nc2ccc(F)cc2C(N)=S)CC1.
What is the InChIKey of 5-fluoro-2-[(1-propylpiperidin-4-yl)amino]benzenecarbothioamide?
The InChIKey is UNVBUYZZQZAGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3S/c1-2-7-19-8-5-12(6-9-19)18-14-4-3-11(16)10-13(14)15(17)20/h3-4,10,12,18H,2,5-9H2,1H3,(H2,17,20).
What are the key properties of 5-fluoro-2-[(1-propylpiperidin-4-yl)amino]benzenecarbothioamide?
5-fluoro-2-[(1-propylpiperidin-4-yl)amino]benzenecarbothioamide has a molecular weight of 295.43 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[(1-propylpiperidin-4-yl)amino]benzenecarbothioamide is sourced from PubChem (CID 63674899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).