N-(4-cyclopropyl-2-fluorophenyl)-1,2-benzothiazol-7-amine

C16H13FN2S — CID 67083704

IUPACN-(4-cyclopropyl-2-fluorophenyl)-1,2-benzothiazol-7-amine
SMILESFc1cc(C2CC2)ccc1Nc1cccc2cnsc12
InChIInChI=1S/C16H13FN2S/c17-13-8-11(10-4-5-10)6-7-14(13)19-15-3-1-2-12-9-18-20-16(12)15/h1-3,6-10,19H,4-5H2
InChIKeyFDEBPKQRSQBPEJ-UHFFFAOYSA-N
MW284.36 g/mol
LogP5.06
Rot. Bonds3

About N-(4-cyclopropyl-2-fluorophenyl)-1,2-benzothiazol-7-amine

N-(4-cyclopropyl-2-fluorophenyl)-1,2-benzothiazol-7-amine (PubChem CID 67083704) has the molecular formula C16H13FN2S and a molecular weight of 284.36 g/mol. Its IUPAC name is N-(4-cyclopropyl-2-fluorophenyl)-1,2-benzothiazol-7-amine.

Molecular Properties

Compound NameN-(4-cyclopropyl-2-fluorophenyl)-1,2-benzothiazol-7-amine
PubChem CID67083704
Molecular FormulaC16H13FN2S
Molecular Weight284.36 g/mol
Exact Mass284.08
IUPAC NameN-(4-cyclopropyl-2-fluorophenyl)-1,2-benzothiazol-7-amine
SMILESFc1cc(C2CC2)ccc1Nc1cccc2cnsc12
InChIInChI=1S/C16H13FN2S/c17-13-8-11(10-4-5-10)6-7-14(13)19-15-3-1-2-12-9-18-20-16(12)15/h1-3,6-10,19H,4-5H2
InChIKeyFDEBPKQRSQBPEJ-UHFFFAOYSA-N
XLogP5.06
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.36
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopropyl-2-fluorophenyl)-1,2-benzothiazol-7-amine?
The IUPAC name of N-(4-cyclopropyl-2-fluorophenyl)-1,2-benzothiazol-7-amine (CID 67083704) is N-(4-cyclopropyl-2-fluorophenyl)-1,2-benzothiazol-7-amine.
What is the SMILES notation for N-(4-cyclopropyl-2-fluorophenyl)-1,2-benzothiazol-7-amine?
The canonical SMILES for N-(4-cyclopropyl-2-fluorophenyl)-1,2-benzothiazol-7-amine is Fc1cc(C2CC2)ccc1Nc1cccc2cnsc12.
What is the InChIKey of N-(4-cyclopropyl-2-fluorophenyl)-1,2-benzothiazol-7-amine?
The InChIKey is FDEBPKQRSQBPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2S/c17-13-8-11(10-4-5-10)6-7-14(13)19-15-3-1-2-12-9-18-20-16(12)15/h1-3,6-10,19H,4-5H2.
What are the key properties of N-(4-cyclopropyl-2-fluorophenyl)-1,2-benzothiazol-7-amine?
N-(4-cyclopropyl-2-fluorophenyl)-1,2-benzothiazol-7-amine has a molecular weight of 284.36 g/mol, XLogP of 5.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopropyl-2-fluorophenyl)-1,2-benzothiazol-7-amine is sourced from PubChem (CID 67083704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).