N-[[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazol-4-yl]methyl]propan-2-amine

C17H23N3S — CID 62096142

IUPACN-[[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1csc(-c2ccc3c(c2)CCCN3C)n1
InChIInChI=1S/C17H23N3S/c1-12(2)18-10-15-11-21-17(19-15)14-6-7-16-13(9-14)5-4-8-20(16)3/h6-7,9,11-12,18H,4-5,8,10H2,1-3H3
InChIKeyYHNXPSZQWZGTOC-UHFFFAOYSA-N
MW301.46 g/mol
LogP3.69
Rot. Bonds4

About N-[[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazol-4-yl]methyl]propan-2-amine

N-[[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazol-4-yl]methyl]propan-2-amine (PubChem CID 62096142) has the molecular formula C17H23N3S and a molecular weight of 301.46 g/mol. Its IUPAC name is N-[[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazol-4-yl]methyl]propan-2-amine
PubChem CID62096142
Molecular FormulaC17H23N3S
Molecular Weight301.46 g/mol
Exact Mass301.16
IUPAC NameN-[[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1csc(-c2ccc3c(c2)CCCN3C)n1
InChIInChI=1S/C17H23N3S/c1-12(2)18-10-15-11-21-17(19-15)14-6-7-16-13(9-14)5-4-8-20(16)3/h6-7,9,11-12,18H,4-5,8,10H2,1-3H3
InChIKeyYHNXPSZQWZGTOC-UHFFFAOYSA-N
XLogP3.69
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 ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazol-4-yl]methyl]propan-2-amine (CID 62096142) is N-[[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazol-4-yl]methyl]propan-2-amine is CC(C)NCc1csc(-c2ccc3c(c2)CCCN3C)n1.
What is the InChIKey of N-[[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazol-4-yl]methyl]propan-2-amine?
The InChIKey is YHNXPSZQWZGTOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3S/c1-12(2)18-10-15-11-21-17(19-15)14-6-7-16-13(9-14)5-4-8-20(16)3/h6-7,9,11-12,18H,4-5,8,10H2,1-3H3.
What are the key properties of N-[[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazol-4-yl]methyl]propan-2-amine?
N-[[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazol-4-yl]methyl]propan-2-amine has a molecular weight of 301.46 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 62096142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).