[4-cyclopropyl-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1,3-thiazol-5-yl]methanamine

C16H20N4S — CID 63916854

IUPAC[4-cyclopropyl-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1,3-thiazol-5-yl]methanamine
SMILESCN1CCN(c2nc(C3CC3)c(CN)s2)c2ccccc21
InChIInChI=1S/C16H20N4S/c1-19-8-9-20(13-5-3-2-4-12(13)19)16-18-15(11-6-7-11)14(10-17)21-16/h2-5,11H,6-10,17H2,1H3
InChIKeyASGGLFBMXFLXLO-UHFFFAOYSA-N
MW300.43 g/mol
LogP3.07
Rot. Bonds3

About [4-cyclopropyl-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1,3-thiazol-5-yl]methanamine

[4-cyclopropyl-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1,3-thiazol-5-yl]methanamine (PubChem CID 63916854) has the molecular formula C16H20N4S and a molecular weight of 300.43 g/mol. Its IUPAC name is [4-cyclopropyl-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[4-cyclopropyl-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1,3-thiazol-5-yl]methanamine
PubChem CID63916854
Molecular FormulaC16H20N4S
Molecular Weight300.43 g/mol
Exact Mass300.14
IUPAC Name[4-cyclopropyl-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1,3-thiazol-5-yl]methanamine
SMILESCN1CCN(c2nc(C3CC3)c(CN)s2)c2ccccc21
InChIInChI=1S/C16H20N4S/c1-19-8-9-20(13-5-3-2-4-12(13)19)16-18-15(11-6-7-11)14(10-17)21-16/h2-5,11H,6-10,17H2,1H3
InChIKeyASGGLFBMXFLXLO-UHFFFAOYSA-N
XLogP3.07
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-cyclopropyl-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [4-cyclopropyl-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1,3-thiazol-5-yl]methanamine (CID 63916854) is [4-cyclopropyl-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [4-cyclopropyl-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [4-cyclopropyl-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1,3-thiazol-5-yl]methanamine is CN1CCN(c2nc(C3CC3)c(CN)s2)c2ccccc21.
What is the InChIKey of [4-cyclopropyl-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is ASGGLFBMXFLXLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4S/c1-19-8-9-20(13-5-3-2-4-12(13)19)16-18-15(11-6-7-11)14(10-17)21-16/h2-5,11H,6-10,17H2,1H3.
What are the key properties of [4-cyclopropyl-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1,3-thiazol-5-yl]methanamine?
[4-cyclopropyl-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 300.43 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-cyclopropyl-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 63916854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).