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

C17H25N3S — CID 62769032

IUPACN-methyl-5-(methylaminomethyl)-N-pentan-3-yl-4-phenyl-1,3-thiazol-2-amine
SMILESCCC(CC)N(C)c1nc(-c2ccccc2)c(CNC)s1
InChIInChI=1S/C17H25N3S/c1-5-14(6-2)20(4)17-19-16(15(21-17)12-18-3)13-10-8-7-9-11-13/h7-11,14,18H,5-6,12H2,1-4H3
InChIKeyYLBQXEDMXXKLQB-UHFFFAOYSA-N
MW303.47 g/mol
LogP4.15
Rot. Bonds7

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

N-methyl-5-(methylaminomethyl)-N-pentan-3-yl-4-phenyl-1,3-thiazol-2-amine (PubChem CID 62769032) has the molecular formula C17H25N3S and a molecular weight of 303.47 g/mol. Its IUPAC name is N-methyl-5-(methylaminomethyl)-N-pentan-3-yl-4-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-methyl-5-(methylaminomethyl)-N-pentan-3-yl-4-phenyl-1,3-thiazol-2-amine
PubChem CID62769032
Molecular FormulaC17H25N3S
Molecular Weight303.47 g/mol
Exact Mass303.18
IUPAC NameN-methyl-5-(methylaminomethyl)-N-pentan-3-yl-4-phenyl-1,3-thiazol-2-amine
SMILESCCC(CC)N(C)c1nc(-c2ccccc2)c(CNC)s1
InChIInChI=1S/C17H25N3S/c1-5-14(6-2)20(4)17-19-16(15(21-17)12-18-3)13-10-8-7-9-11-13/h7-11,14,18H,5-6,12H2,1-4H3
InChIKeyYLBQXEDMXXKLQB-UHFFFAOYSA-N
XLogP4.15
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-5-(methylaminomethyl)-4-phenyl-N-propyl-1,3-thiazol-2-amine
CID 62764673
N-methyl-5-(methylaminomethyl)-N-(2-methylbutan-2-yl)-4-phenyl-1,3-thiazol-2-amine
CID 63967251
N-methyl-1-(2-methyl-4-phenyl-1,3-thiazol-5-yl)methanamine
CID 81173465
[2-[methyl(pentan-2-yl)amino]-4-phenyl-1,3-thiazol-5-yl]methanol
CID 62780155
1-[2-(5-bromothiophen-2-yl)-4-phenyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 81173545
1-[2-(methoxymethyl)-4-phenyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 81174031
5-[(cyclopropylamino)methyl]-N-ethyl-N-methyl-4-phenyl-1,3-thiazol-2-amine
CID 62764504
3-[[2-(dimethylamino)-4-phenyl-1,3-thiazol-5-yl]methylamino]-4-methylpentan-1-ol
CID 111469210
N-methyl-1-[2-(3-methylphenyl)-4-phenyl-1,3-thiazol-5-yl]methanamine
CID 81178171
1-[2-[cyclopropyl(ethoxy)methyl]-4-phenyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 116730678
1-[[2-(dimethylamino)-4-phenyl-1,3-thiazol-5-yl]methylamino]-4-methylpentan-3-ol
CID 111468139
1-[2-(azepan-1-yl)-4-phenyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 62763999

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(methylaminomethyl)-N-pentan-3-yl-4-phenyl-1,3-thiazol-2-amine?
The IUPAC name of N-methyl-5-(methylaminomethyl)-N-pentan-3-yl-4-phenyl-1,3-thiazol-2-amine (CID 62769032) is N-methyl-5-(methylaminomethyl)-N-pentan-3-yl-4-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-methyl-5-(methylaminomethyl)-N-pentan-3-yl-4-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for N-methyl-5-(methylaminomethyl)-N-pentan-3-yl-4-phenyl-1,3-thiazol-2-amine is CCC(CC)N(C)c1nc(-c2ccccc2)c(CNC)s1.
What is the InChIKey of N-methyl-5-(methylaminomethyl)-N-pentan-3-yl-4-phenyl-1,3-thiazol-2-amine?
The InChIKey is YLBQXEDMXXKLQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3S/c1-5-14(6-2)20(4)17-19-16(15(21-17)12-18-3)13-10-8-7-9-11-13/h7-11,14,18H,5-6,12H2,1-4H3.
What are the key properties of N-methyl-5-(methylaminomethyl)-N-pentan-3-yl-4-phenyl-1,3-thiazol-2-amine?
N-methyl-5-(methylaminomethyl)-N-pentan-3-yl-4-phenyl-1,3-thiazol-2-amine has a molecular weight of 303.47 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(methylaminomethyl)-N-pentan-3-yl-4-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 62769032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).