N-propan-2-yloxy-2-(2-pyridin-3-yl-1,3-thiazol-5-yl)-5,6,7,8-tetrahydroquinolin-8-amine

C20H22N4OS — CID 148793923

IUPACN-propan-2-yloxy-2-(2-pyridin-3-yl-1,3-thiazol-5-yl)-5,6,7,8-tetrahydroquinolin-8-amine
SMILESCC(C)ONC1CCCc2ccc(-c3cnc(-c4cccnc4)s3)nc21
InChIInChI=1S/C20H22N4OS/c1-13(2)25-24-17-7-3-5-14-8-9-16(23-19(14)17)18-12-22-20(26-18)15-6-4-10-21-11-15/h4,6,8-13,17,24H,3,5,7H2,1-2H3
InChIKeyOMSKWLLPGSHPMS-UHFFFAOYSA-N
MW366.49 g/mol
LogP4.57
Rot. Bonds5

About N-propan-2-yloxy-2-(2-pyridin-3-yl-1,3-thiazol-5-yl)-5,6,7,8-tetrahydroquinolin-8-amine

N-propan-2-yloxy-2-(2-pyridin-3-yl-1,3-thiazol-5-yl)-5,6,7,8-tetrahydroquinolin-8-amine (PubChem CID 148793923) has the molecular formula C20H22N4OS and a molecular weight of 366.49 g/mol. Its IUPAC name is N-propan-2-yloxy-2-(2-pyridin-3-yl-1,3-thiazol-5-yl)-5,6,7,8-tetrahydroquinolin-8-amine.

Molecular Properties

Compound NameN-propan-2-yloxy-2-(2-pyridin-3-yl-1,3-thiazol-5-yl)-5,6,7,8-tetrahydroquinolin-8-amine
PubChem CID148793923
Molecular FormulaC20H22N4OS
Molecular Weight366.49 g/mol
Exact Mass366.15
IUPAC NameN-propan-2-yloxy-2-(2-pyridin-3-yl-1,3-thiazol-5-yl)-5,6,7,8-tetrahydroquinolin-8-amine
SMILESCC(C)ONC1CCCc2ccc(-c3cnc(-c4cccnc4)s3)nc21
InChIInChI=1S/C20H22N4OS/c1-13(2)25-24-17-7-3-5-14-8-9-16(23-19(14)17)18-12-22-20(26-18)15-6-4-10-21-11-15/h4,6,8-13,17,24H,3,5,7H2,1-2H3
InChIKeyOMSKWLLPGSHPMS-UHFFFAOYSA-N
XLogP4.57
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yloxy-2-(2-pyridin-3-yl-1,3-thiazol-5-yl)-5,6,7,8-tetrahydroquinolin-8-amine?
The IUPAC name of N-propan-2-yloxy-2-(2-pyridin-3-yl-1,3-thiazol-5-yl)-5,6,7,8-tetrahydroquinolin-8-amine (CID 148793923) is N-propan-2-yloxy-2-(2-pyridin-3-yl-1,3-thiazol-5-yl)-5,6,7,8-tetrahydroquinolin-8-amine.
What is the SMILES notation for N-propan-2-yloxy-2-(2-pyridin-3-yl-1,3-thiazol-5-yl)-5,6,7,8-tetrahydroquinolin-8-amine?
The canonical SMILES for N-propan-2-yloxy-2-(2-pyridin-3-yl-1,3-thiazol-5-yl)-5,6,7,8-tetrahydroquinolin-8-amine is CC(C)ONC1CCCc2ccc(-c3cnc(-c4cccnc4)s3)nc21.
What is the InChIKey of N-propan-2-yloxy-2-(2-pyridin-3-yl-1,3-thiazol-5-yl)-5,6,7,8-tetrahydroquinolin-8-amine?
The InChIKey is OMSKWLLPGSHPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4OS/c1-13(2)25-24-17-7-3-5-14-8-9-16(23-19(14)17)18-12-22-20(26-18)15-6-4-10-21-11-15/h4,6,8-13,17,24H,3,5,7H2,1-2H3.
What are the key properties of N-propan-2-yloxy-2-(2-pyridin-3-yl-1,3-thiazol-5-yl)-5,6,7,8-tetrahydroquinolin-8-amine?
N-propan-2-yloxy-2-(2-pyridin-3-yl-1,3-thiazol-5-yl)-5,6,7,8-tetrahydroquinolin-8-amine has a molecular weight of 366.49 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yloxy-2-(2-pyridin-3-yl-1,3-thiazol-5-yl)-5,6,7,8-tetrahydroquinolin-8-amine is sourced from PubChem (CID 148793923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).