6-(4-fluoropiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine

C12H18FN3S — CID 87426089

IUPAC6-(4-fluoropiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
SMILESNc1nc2c(s1)CC(N1CCC(F)CC1)CC2
InChIInChI=1S/C12H18FN3S/c13-8-3-5-16(6-4-8)9-1-2-10-11(7-9)17-12(14)15-10/h8-9H,1-7H2,(H2,14,15)
InChIKeyCBZXAODEEAVQKZ-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.02
Rot. Bonds1

About 6-(4-fluoropiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine

6-(4-fluoropiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine (PubChem CID 87426089) has the molecular formula C12H18FN3S and a molecular weight of 255.36 g/mol. Its IUPAC name is 6-(4-fluoropiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-(4-fluoropiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
PubChem CID87426089
Molecular FormulaC12H18FN3S
Molecular Weight255.36 g/mol
Exact Mass255.12
IUPAC Name6-(4-fluoropiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
SMILESNc1nc2c(s1)CC(N1CCC(F)CC1)CC2
InChIInChI=1S/C12H18FN3S/c13-8-3-5-16(6-4-8)9-1-2-10-11(7-9)17-12(14)15-10/h8-9H,1-7H2,(H2,14,15)
InChIKeyCBZXAODEEAVQKZ-UHFFFAOYSA-N
XLogP2.02
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(4-fluoropiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine with MolForge

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Related Compounds

Pramipexole
CID 119570
Dexpramipexole
CID 59868
Pramipexole Dihydrochloride Anhydrous
CID 119569
Pramipexole Dihydrochloride Monohydrate
CID 166589
2-Amino-4,5,6,7-tetrahydrobenzothiazole
CID 18046
4,5,6,7-Tetrahydro-N6-propyl-2,6-benzothiazolediamine
CID 4885
PRAMIPEXOLE HCl
CID 9964861
5-propyl-4a,6,7,8,8a,9-hexahydro-4H-[1,3]thiazolo[4,5-g]quinolin-2-amine
CID 13491307
N~6~,N~6~-Dipropyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine
CID 13670706
2,6-Diamino-4,5,6,7-tetrahydrobenzothiazole
CID 10329721
(R)-Pramipexole Dihydrochloride
CID 51052075
2,6-Diamino-4,5,6,7-tetrahydrobenzothiazole, (S)-
CID 11521153

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluoropiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
The IUPAC name of 6-(4-fluoropiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine (CID 87426089) is 6-(4-fluoropiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-(4-fluoropiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-(4-fluoropiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine is Nc1nc2c(s1)CC(N1CCC(F)CC1)CC2.
What is the InChIKey of 6-(4-fluoropiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
The InChIKey is CBZXAODEEAVQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3S/c13-8-3-5-16(6-4-8)9-1-2-10-11(7-9)17-12(14)15-10/h8-9H,1-7H2,(H2,14,15).
What are the key properties of 6-(4-fluoropiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine?
6-(4-fluoropiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine has a molecular weight of 255.36 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluoropiperidin-1-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine is sourced from PubChem (CID 87426089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).