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

C17H25N3S — CID 63967251

IUPACN-methyl-5-(methylaminomethyl)-N-(2-methylbutan-2-yl)-4-phenyl-1,3-thiazol-2-amine
SMILESCCC(C)(C)N(C)c1nc(-c2ccccc2)c(CNC)s1
InChIInChI=1S/C17H25N3S/c1-6-17(2,3)20(5)16-19-15(14(21-16)12-18-4)13-10-8-7-9-11-13/h7-11,18H,6,12H2,1-5H3
InChIKeyUORYRIWFXJYKEN-UHFFFAOYSA-N
MW303.47 g/mol
LogP4.15
Rot. Bonds6

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

N-methyl-5-(methylaminomethyl)-N-(2-methylbutan-2-yl)-4-phenyl-1,3-thiazol-2-amine (PubChem CID 63967251) has the molecular formula C17H25N3S and a molecular weight of 303.47 g/mol. Its IUPAC name is N-methyl-5-(methylaminomethyl)-N-(2-methylbutan-2-yl)-4-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-methyl-5-(methylaminomethyl)-N-(2-methylbutan-2-yl)-4-phenyl-1,3-thiazol-2-amine
PubChem CID63967251
Molecular FormulaC17H25N3S
Molecular Weight303.47 g/mol
Exact Mass303.18
IUPAC NameN-methyl-5-(methylaminomethyl)-N-(2-methylbutan-2-yl)-4-phenyl-1,3-thiazol-2-amine
SMILESCCC(C)(C)N(C)c1nc(-c2ccccc2)c(CNC)s1
InChIInChI=1S/C17H25N3S/c1-6-17(2,3)20(5)16-19-15(14(21-16)12-18-4)13-10-8-7-9-11-13/h7-11,18H,6,12H2,1-5H3
InChIKeyUORYRIWFXJYKEN-UHFFFAOYSA-N
XLogP4.15
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(methylaminomethyl)-N-(2-methylbutan-2-yl)-4-phenyl-1,3-thiazol-2-amine?
The IUPAC name of N-methyl-5-(methylaminomethyl)-N-(2-methylbutan-2-yl)-4-phenyl-1,3-thiazol-2-amine (CID 63967251) is N-methyl-5-(methylaminomethyl)-N-(2-methylbutan-2-yl)-4-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-methyl-5-(methylaminomethyl)-N-(2-methylbutan-2-yl)-4-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for N-methyl-5-(methylaminomethyl)-N-(2-methylbutan-2-yl)-4-phenyl-1,3-thiazol-2-amine is CCC(C)(C)N(C)c1nc(-c2ccccc2)c(CNC)s1.
What is the InChIKey of N-methyl-5-(methylaminomethyl)-N-(2-methylbutan-2-yl)-4-phenyl-1,3-thiazol-2-amine?
The InChIKey is UORYRIWFXJYKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3S/c1-6-17(2,3)20(5)16-19-15(14(21-16)12-18-4)13-10-8-7-9-11-13/h7-11,18H,6,12H2,1-5H3.
What are the key properties of N-methyl-5-(methylaminomethyl)-N-(2-methylbutan-2-yl)-4-phenyl-1,3-thiazol-2-amine?
N-methyl-5-(methylaminomethyl)-N-(2-methylbutan-2-yl)-4-phenyl-1,3-thiazol-2-amine has a molecular weight of 303.47 g/mol, XLogP of 4.15, 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)-N-(2-methylbutan-2-yl)-4-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 63967251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).