N-[cyclopropyl-(4-fluorophenyl)methyl]-1,3-benzothiazol-6-amine

C17H15FN2S — CID 107803874

IUPACN-[cyclopropyl-(4-fluorophenyl)methyl]-1,3-benzothiazol-6-amine
SMILESFc1ccc(C(Nc2ccc3ncsc3c2)C2CC2)cc1
InChIInChI=1S/C17H15FN2S/c18-13-5-3-12(4-6-13)17(11-1-2-11)20-14-7-8-15-16(9-14)21-10-19-15/h3-11,17,20H,1-2H2
InChIKeyVZSDPTSMMDTBRM-UHFFFAOYSA-N
MW298.39 g/mol
LogP5.00
Rot. Bonds4

About N-[cyclopropyl-(4-fluorophenyl)methyl]-1,3-benzothiazol-6-amine

N-[cyclopropyl-(4-fluorophenyl)methyl]-1,3-benzothiazol-6-amine (PubChem CID 107803874) has the molecular formula C17H15FN2S and a molecular weight of 298.39 g/mol. Its IUPAC name is N-[cyclopropyl-(4-fluorophenyl)methyl]-1,3-benzothiazol-6-amine.

Molecular Properties

Compound NameN-[cyclopropyl-(4-fluorophenyl)methyl]-1,3-benzothiazol-6-amine
PubChem CID107803874
Molecular FormulaC17H15FN2S
Molecular Weight298.39 g/mol
Exact Mass298.09
IUPAC NameN-[cyclopropyl-(4-fluorophenyl)methyl]-1,3-benzothiazol-6-amine
SMILESFc1ccc(C(Nc2ccc3ncsc3c2)C2CC2)cc1
InChIInChI=1S/C17H15FN2S/c18-13-5-3-12(4-6-13)17(11-1-2-11)20-14-7-8-15-16(9-14)21-10-19-15/h3-11,17,20H,1-2H2
InChIKeyVZSDPTSMMDTBRM-UHFFFAOYSA-N
XLogP5.00
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(4-fluorophenyl)methyl]-1,3-benzothiazol-6-amine?
The IUPAC name of N-[cyclopropyl-(4-fluorophenyl)methyl]-1,3-benzothiazol-6-amine (CID 107803874) is N-[cyclopropyl-(4-fluorophenyl)methyl]-1,3-benzothiazol-6-amine.
What is the SMILES notation for N-[cyclopropyl-(4-fluorophenyl)methyl]-1,3-benzothiazol-6-amine?
The canonical SMILES for N-[cyclopropyl-(4-fluorophenyl)methyl]-1,3-benzothiazol-6-amine is Fc1ccc(C(Nc2ccc3ncsc3c2)C2CC2)cc1.
What is the InChIKey of N-[cyclopropyl-(4-fluorophenyl)methyl]-1,3-benzothiazol-6-amine?
The InChIKey is VZSDPTSMMDTBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2S/c18-13-5-3-12(4-6-13)17(11-1-2-11)20-14-7-8-15-16(9-14)21-10-19-15/h3-11,17,20H,1-2H2.
What are the key properties of N-[cyclopropyl-(4-fluorophenyl)methyl]-1,3-benzothiazol-6-amine?
N-[cyclopropyl-(4-fluorophenyl)methyl]-1,3-benzothiazol-6-amine has a molecular weight of 298.39 g/mol, XLogP of 5.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(4-fluorophenyl)methyl]-1,3-benzothiazol-6-amine is sourced from PubChem (CID 107803874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).