N-methyl-N-[[3-[[(2-phenyl-1,3-thiazol-5-yl)methylamino]methyl]phenyl]methyl]propan-2-amine

C22H27N3S — CID 119110450

IUPACN-methyl-N-[[3-[[(2-phenyl-1,3-thiazol-5-yl)methylamino]methyl]phenyl]methyl]propan-2-amine
SMILESCC(C)N(C)Cc1cccc(CNCc2cnc(-c3ccccc3)s2)c1
InChIInChI=1S/C22H27N3S/c1-17(2)25(3)16-19-9-7-8-18(12-19)13-23-14-21-15-24-22(26-21)20-10-5-4-6-11-20/h4-12,15,17,23H,13-14,16H2,1-3H3
InChIKeyCGGRKCRTFNBRCO-UHFFFAOYSA-N
MW365.55 g/mol
LogP4.94
Rot. Bonds8

About N-methyl-N-[[3-[[(2-phenyl-1,3-thiazol-5-yl)methylamino]methyl]phenyl]methyl]propan-2-amine

N-methyl-N-[[3-[[(2-phenyl-1,3-thiazol-5-yl)methylamino]methyl]phenyl]methyl]propan-2-amine (PubChem CID 119110450) has the molecular formula C22H27N3S and a molecular weight of 365.55 g/mol. Its IUPAC name is N-methyl-N-[[3-[[(2-phenyl-1,3-thiazol-5-yl)methylamino]methyl]phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-methyl-N-[[3-[[(2-phenyl-1,3-thiazol-5-yl)methylamino]methyl]phenyl]methyl]propan-2-amine
PubChem CID119110450
Molecular FormulaC22H27N3S
Molecular Weight365.55 g/mol
Exact Mass365.19
IUPAC NameN-methyl-N-[[3-[[(2-phenyl-1,3-thiazol-5-yl)methylamino]methyl]phenyl]methyl]propan-2-amine
SMILESCC(C)N(C)Cc1cccc(CNCc2cnc(-c3ccccc3)s2)c1
InChIInChI=1S/C22H27N3S/c1-17(2)25(3)16-19-9-7-8-18(12-19)13-23-14-21-15-24-22(26-21)20-10-5-4-6-11-20/h4-12,15,17,23H,13-14,16H2,1-3H3
InChIKeyCGGRKCRTFNBRCO-UHFFFAOYSA-N
XLogP4.94
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.55
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[3-[[(2-phenyl-1,3-thiazol-5-yl)methylamino]methyl]phenyl]methyl]propan-2-amine?
The IUPAC name of N-methyl-N-[[3-[[(2-phenyl-1,3-thiazol-5-yl)methylamino]methyl]phenyl]methyl]propan-2-amine (CID 119110450) is N-methyl-N-[[3-[[(2-phenyl-1,3-thiazol-5-yl)methylamino]methyl]phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-methyl-N-[[3-[[(2-phenyl-1,3-thiazol-5-yl)methylamino]methyl]phenyl]methyl]propan-2-amine?
The canonical SMILES for N-methyl-N-[[3-[[(2-phenyl-1,3-thiazol-5-yl)methylamino]methyl]phenyl]methyl]propan-2-amine is CC(C)N(C)Cc1cccc(CNCc2cnc(-c3ccccc3)s2)c1.
What is the InChIKey of N-methyl-N-[[3-[[(2-phenyl-1,3-thiazol-5-yl)methylamino]methyl]phenyl]methyl]propan-2-amine?
The InChIKey is CGGRKCRTFNBRCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3S/c1-17(2)25(3)16-19-9-7-8-18(12-19)13-23-14-21-15-24-22(26-21)20-10-5-4-6-11-20/h4-12,15,17,23H,13-14,16H2,1-3H3.
What are the key properties of N-methyl-N-[[3-[[(2-phenyl-1,3-thiazol-5-yl)methylamino]methyl]phenyl]methyl]propan-2-amine?
N-methyl-N-[[3-[[(2-phenyl-1,3-thiazol-5-yl)methylamino]methyl]phenyl]methyl]propan-2-amine has a molecular weight of 365.55 g/mol, XLogP of 4.94, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[3-[[(2-phenyl-1,3-thiazol-5-yl)methylamino]methyl]phenyl]methyl]propan-2-amine is sourced from PubChem (CID 119110450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).