1-[(4-phenyl-1,3-thiazol-2-yl)methyl]-3,4-dihydro-2H-quinolin-3-amine

C19H19N3S — CID 166361383

IUPAC1-[(4-phenyl-1,3-thiazol-2-yl)methyl]-3,4-dihydro-2H-quinolin-3-amine
SMILESNC1Cc2ccccc2N(Cc2nc(-c3ccccc3)cs2)C1
InChIInChI=1S/C19H19N3S/c20-16-10-15-8-4-5-9-18(15)22(11-16)12-19-21-17(13-23-19)14-6-2-1-3-7-14/h1-9,13,16H,10-12,20H2
InChIKeyVSZIPPNFRAKCOP-UHFFFAOYSA-N
MW321.45 g/mol
LogP3.70
Rot. Bonds3

About 1-[(4-phenyl-1,3-thiazol-2-yl)methyl]-3,4-dihydro-2H-quinolin-3-amine

1-[(4-phenyl-1,3-thiazol-2-yl)methyl]-3,4-dihydro-2H-quinolin-3-amine (PubChem CID 166361383) has the molecular formula C19H19N3S and a molecular weight of 321.45 g/mol. Its IUPAC name is 1-[(4-phenyl-1,3-thiazol-2-yl)methyl]-3,4-dihydro-2H-quinolin-3-amine.

Molecular Properties

Compound Name1-[(4-phenyl-1,3-thiazol-2-yl)methyl]-3,4-dihydro-2H-quinolin-3-amine
PubChem CID166361383
Molecular FormulaC19H19N3S
Molecular Weight321.45 g/mol
Exact Mass321.13
IUPAC Name1-[(4-phenyl-1,3-thiazol-2-yl)methyl]-3,4-dihydro-2H-quinolin-3-amine
SMILESNC1Cc2ccccc2N(Cc2nc(-c3ccccc3)cs2)C1
InChIInChI=1S/C19H19N3S/c20-16-10-15-8-4-5-9-18(15)22(11-16)12-19-21-17(13-23-19)14-6-2-1-3-7-14/h1-9,13,16H,10-12,20H2
InChIKeyVSZIPPNFRAKCOP-UHFFFAOYSA-N
XLogP3.70
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-phenyl-1,3-thiazol-2-yl)methyl]-3,4-dihydro-2H-quinolin-3-amine?
The IUPAC name of 1-[(4-phenyl-1,3-thiazol-2-yl)methyl]-3,4-dihydro-2H-quinolin-3-amine (CID 166361383) is 1-[(4-phenyl-1,3-thiazol-2-yl)methyl]-3,4-dihydro-2H-quinolin-3-amine.
What is the SMILES notation for 1-[(4-phenyl-1,3-thiazol-2-yl)methyl]-3,4-dihydro-2H-quinolin-3-amine?
The canonical SMILES for 1-[(4-phenyl-1,3-thiazol-2-yl)methyl]-3,4-dihydro-2H-quinolin-3-amine is NC1Cc2ccccc2N(Cc2nc(-c3ccccc3)cs2)C1.
What is the InChIKey of 1-[(4-phenyl-1,3-thiazol-2-yl)methyl]-3,4-dihydro-2H-quinolin-3-amine?
The InChIKey is VSZIPPNFRAKCOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3S/c20-16-10-15-8-4-5-9-18(15)22(11-16)12-19-21-17(13-23-19)14-6-2-1-3-7-14/h1-9,13,16H,10-12,20H2.
What are the key properties of 1-[(4-phenyl-1,3-thiazol-2-yl)methyl]-3,4-dihydro-2H-quinolin-3-amine?
1-[(4-phenyl-1,3-thiazol-2-yl)methyl]-3,4-dihydro-2H-quinolin-3-amine has a molecular weight of 321.45 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-phenyl-1,3-thiazol-2-yl)methyl]-3,4-dihydro-2H-quinolin-3-amine is sourced from PubChem (CID 166361383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).