N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1,3-benzothiazol-2-amine;dihydrochloride

C19H23Cl2FN4S — CID 18460654

IUPACN-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1,3-benzothiazol-2-amine;dihydrochloride
SMILESCl.Cl.Fc1ccc(N2CCN(CCNc3nc4ccccc4s3)CC2)cc1
InChIInChI=1S/C19H21FN4S.2ClH/c20-15-5-7-16(8-6-15)24-13-11-23(12-14-24)10-9-21-19-22-17-3-1-2-4-18(17)25-19;;/h1-8H,9-14H2,(H,21,22);2*1H
InChIKeyCONZRMAJFSOZJD-UHFFFAOYSA-N
MW429.39 g/mol
LogP4.51
Rot. Bonds5

About N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1,3-benzothiazol-2-amine;dihydrochloride

N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1,3-benzothiazol-2-amine;dihydrochloride (PubChem CID 18460654) has the molecular formula C19H23Cl2FN4S and a molecular weight of 429.39 g/mol. Its IUPAC name is N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1,3-benzothiazol-2-amine;dihydrochloride.

Molecular Properties

Compound NameN-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1,3-benzothiazol-2-amine;dihydrochloride
PubChem CID18460654
Molecular FormulaC19H23Cl2FN4S
Molecular Weight429.39 g/mol
Exact Mass428.10
IUPAC NameN-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1,3-benzothiazol-2-amine;dihydrochloride
SMILESCl.Cl.Fc1ccc(N2CCN(CCNc3nc4ccccc4s3)CC2)cc1
InChIInChI=1S/C19H21FN4S.2ClH/c20-15-5-7-16(8-6-15)24-13-11-23(12-14-24)10-9-21-19-22-17-3-1-2-4-18(17)25-19;;/h1-8H,9-14H2,(H,21,22);2*1H
InChIKeyCONZRMAJFSOZJD-UHFFFAOYSA-N
XLogP4.51
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.39
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1,3-benzothiazol-2-amine;dihydrochloride?
The IUPAC name of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1,3-benzothiazol-2-amine;dihydrochloride (CID 18460654) is N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1,3-benzothiazol-2-amine;dihydrochloride.
What is the SMILES notation for N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1,3-benzothiazol-2-amine;dihydrochloride?
The canonical SMILES for N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1,3-benzothiazol-2-amine;dihydrochloride is Cl.Cl.Fc1ccc(N2CCN(CCNc3nc4ccccc4s3)CC2)cc1.
What is the InChIKey of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1,3-benzothiazol-2-amine;dihydrochloride?
The InChIKey is CONZRMAJFSOZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4S.2ClH/c20-15-5-7-16(8-6-15)24-13-11-23(12-14-24)10-9-21-19-22-17-3-1-2-4-18(17)25-19;;/h1-8H,9-14H2,(H,21,22);2*1H.
What are the key properties of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1,3-benzothiazol-2-amine;dihydrochloride?
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1,3-benzothiazol-2-amine;dihydrochloride has a molecular weight of 429.39 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1,3-benzothiazol-2-amine;dihydrochloride is sourced from PubChem (CID 18460654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).