2-cyclopropyl-6-phenyl-5,7-dihydro-4H-1,3-benzothiazol-6-amine

C16H18N2S — CID 177304818

IUPAC2-cyclopropyl-6-phenyl-5,7-dihydro-4H-1,3-benzothiazol-6-amine
SMILESNC1(c2ccccc2)CCc2nc(C3CC3)sc2C1
InChIInChI=1S/C16H18N2S/c17-16(12-4-2-1-3-5-12)9-8-13-14(10-16)19-15(18-13)11-6-7-11/h1-5,11H,6-10,17H2
InChIKeyKQZPJVJIWWOKCA-UHFFFAOYSA-N
MW270.40 g/mol
LogP3.36
Rot. Bonds2

About 2-cyclopropyl-6-phenyl-5,7-dihydro-4H-1,3-benzothiazol-6-amine

2-cyclopropyl-6-phenyl-5,7-dihydro-4H-1,3-benzothiazol-6-amine (PubChem CID 177304818) has the molecular formula C16H18N2S and a molecular weight of 270.40 g/mol. Its IUPAC name is 2-cyclopropyl-6-phenyl-5,7-dihydro-4H-1,3-benzothiazol-6-amine.

Molecular Properties

Compound Name2-cyclopropyl-6-phenyl-5,7-dihydro-4H-1,3-benzothiazol-6-amine
PubChem CID177304818
Molecular FormulaC16H18N2S
Molecular Weight270.40 g/mol
Exact Mass270.12
IUPAC Name2-cyclopropyl-6-phenyl-5,7-dihydro-4H-1,3-benzothiazol-6-amine
SMILESNC1(c2ccccc2)CCc2nc(C3CC3)sc2C1
InChIInChI=1S/C16H18N2S/c17-16(12-4-2-1-3-5-12)9-8-13-14(10-16)19-15(18-13)11-6-7-11/h1-5,11H,6-10,17H2
InChIKeyKQZPJVJIWWOKCA-UHFFFAOYSA-N
XLogP3.36
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-phenyl-5,7-dihydro-4H-1,3-benzothiazol-6-amine?
The IUPAC name of 2-cyclopropyl-6-phenyl-5,7-dihydro-4H-1,3-benzothiazol-6-amine (CID 177304818) is 2-cyclopropyl-6-phenyl-5,7-dihydro-4H-1,3-benzothiazol-6-amine.
What is the SMILES notation for 2-cyclopropyl-6-phenyl-5,7-dihydro-4H-1,3-benzothiazol-6-amine?
The canonical SMILES for 2-cyclopropyl-6-phenyl-5,7-dihydro-4H-1,3-benzothiazol-6-amine is NC1(c2ccccc2)CCc2nc(C3CC3)sc2C1.
What is the InChIKey of 2-cyclopropyl-6-phenyl-5,7-dihydro-4H-1,3-benzothiazol-6-amine?
The InChIKey is KQZPJVJIWWOKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2S/c17-16(12-4-2-1-3-5-12)9-8-13-14(10-16)19-15(18-13)11-6-7-11/h1-5,11H,6-10,17H2.
What are the key properties of 2-cyclopropyl-6-phenyl-5,7-dihydro-4H-1,3-benzothiazol-6-amine?
2-cyclopropyl-6-phenyl-5,7-dihydro-4H-1,3-benzothiazol-6-amine has a molecular weight of 270.40 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-phenyl-5,7-dihydro-4H-1,3-benzothiazol-6-amine is sourced from PubChem (CID 177304818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).