N-methyl-5-(methylaminomethyl)-4-phenyl-N-propyl-1,3-thiazol-2-amine

C15H21N3S — CID 62764673

IUPACN-methyl-5-(methylaminomethyl)-4-phenyl-N-propyl-1,3-thiazol-2-amine
SMILESCCCN(C)c1nc(-c2ccccc2)c(CNC)s1
InChIInChI=1S/C15H21N3S/c1-4-10-18(3)15-17-14(13(19-15)11-16-2)12-8-6-5-7-9-12/h5-9,16H,4,10-11H2,1-3H3
InChIKeySDVFRABMXAQIRC-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.38
Rot. Bonds6

About N-methyl-5-(methylaminomethyl)-4-phenyl-N-propyl-1,3-thiazol-2-amine

N-methyl-5-(methylaminomethyl)-4-phenyl-N-propyl-1,3-thiazol-2-amine (PubChem CID 62764673) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is N-methyl-5-(methylaminomethyl)-4-phenyl-N-propyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-methyl-5-(methylaminomethyl)-4-phenyl-N-propyl-1,3-thiazol-2-amine
PubChem CID62764673
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC NameN-methyl-5-(methylaminomethyl)-4-phenyl-N-propyl-1,3-thiazol-2-amine
SMILESCCCN(C)c1nc(-c2ccccc2)c(CNC)s1
InChIInChI=1S/C15H21N3S/c1-4-10-18(3)15-17-14(13(19-15)11-16-2)12-8-6-5-7-9-12/h5-9,16H,4,10-11H2,1-3H3
InChIKeySDVFRABMXAQIRC-UHFFFAOYSA-N
XLogP3.38
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(methylaminomethyl)-4-phenyl-N-propyl-1,3-thiazol-2-amine?
The IUPAC name of N-methyl-5-(methylaminomethyl)-4-phenyl-N-propyl-1,3-thiazol-2-amine (CID 62764673) is N-methyl-5-(methylaminomethyl)-4-phenyl-N-propyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-methyl-5-(methylaminomethyl)-4-phenyl-N-propyl-1,3-thiazol-2-amine?
The canonical SMILES for N-methyl-5-(methylaminomethyl)-4-phenyl-N-propyl-1,3-thiazol-2-amine is CCCN(C)c1nc(-c2ccccc2)c(CNC)s1.
What is the InChIKey of N-methyl-5-(methylaminomethyl)-4-phenyl-N-propyl-1,3-thiazol-2-amine?
The InChIKey is SDVFRABMXAQIRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-4-10-18(3)15-17-14(13(19-15)11-16-2)12-8-6-5-7-9-12/h5-9,16H,4,10-11H2,1-3H3.
What are the key properties of N-methyl-5-(methylaminomethyl)-4-phenyl-N-propyl-1,3-thiazol-2-amine?
N-methyl-5-(methylaminomethyl)-4-phenyl-N-propyl-1,3-thiazol-2-amine has a molecular weight of 275.42 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(methylaminomethyl)-4-phenyl-N-propyl-1,3-thiazol-2-amine is sourced from PubChem (CID 62764673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).