N-[[2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine

C17H23N3S — CID 63512881

IUPACN-[[2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCC1Cc2ccccc2N(c2ncc(CNC(C)C)s2)C1
InChIInChI=1S/C17H23N3S/c1-12(2)18-9-15-10-19-17(21-15)20-11-13(3)8-14-6-4-5-7-16(14)20/h4-7,10,12-13,18H,8-9,11H2,1-3H3
InChIKeyJNKPVGCAKKVDHU-UHFFFAOYSA-N
MW301.46 g/mol
LogP3.97
Rot. Bonds4

About N-[[2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine

N-[[2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine (PubChem CID 63512881) has the molecular formula C17H23N3S and a molecular weight of 301.46 g/mol. Its IUPAC name is N-[[2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
PubChem CID63512881
Molecular FormulaC17H23N3S
Molecular Weight301.46 g/mol
Exact Mass301.16
IUPAC NameN-[[2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCC1Cc2ccccc2N(c2ncc(CNC(C)C)s2)C1
InChIInChI=1S/C17H23N3S/c1-12(2)18-9-15-10-19-17(21-15)20-11-13(3)8-14-6-4-5-7-16(14)20/h4-7,10,12-13,18H,8-9,11H2,1-3H3
InChIKeyJNKPVGCAKKVDHU-UHFFFAOYSA-N
XLogP3.97
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine (CID 63512881) is N-[[2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine is CC1Cc2ccccc2N(c2ncc(CNC(C)C)s2)C1.
What is the InChIKey of N-[[2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The InChIKey is JNKPVGCAKKVDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3S/c1-12(2)18-9-15-10-19-17(21-15)20-11-13(3)8-14-6-4-5-7-16(14)20/h4-7,10,12-13,18H,8-9,11H2,1-3H3.
What are the key properties of N-[[2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
N-[[2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine has a molecular weight of 301.46 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 63512881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).