N-methyl-1-[4-methyl-2-(3-phenylpentan-3-yl)-1,3-thiazol-5-yl]methanamine

C17H24N2S — CID 63081879

IUPACN-methyl-1-[4-methyl-2-(3-phenylpentan-3-yl)-1,3-thiazol-5-yl]methanamine
SMILESCCC(CC)(c1ccccc1)c1nc(C)c(CNC)s1
InChIInChI=1S/C17H24N2S/c1-5-17(6-2,14-10-8-7-9-11-14)16-19-13(3)15(20-16)12-18-4/h7-11,18H,5-6,12H2,1-4H3
InChIKeySGRVAAIATBMJJM-UHFFFAOYSA-N
MW288.46 g/mol
LogP4.28
Rot. Bonds6

About N-methyl-1-[4-methyl-2-(3-phenylpentan-3-yl)-1,3-thiazol-5-yl]methanamine

N-methyl-1-[4-methyl-2-(3-phenylpentan-3-yl)-1,3-thiazol-5-yl]methanamine (PubChem CID 63081879) has the molecular formula C17H24N2S and a molecular weight of 288.46 g/mol. Its IUPAC name is N-methyl-1-[4-methyl-2-(3-phenylpentan-3-yl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-methyl-2-(3-phenylpentan-3-yl)-1,3-thiazol-5-yl]methanamine
PubChem CID63081879
Molecular FormulaC17H24N2S
Molecular Weight288.46 g/mol
Exact Mass288.17
IUPAC NameN-methyl-1-[4-methyl-2-(3-phenylpentan-3-yl)-1,3-thiazol-5-yl]methanamine
SMILESCCC(CC)(c1ccccc1)c1nc(C)c(CNC)s1
InChIInChI=1S/C17H24N2S/c1-5-17(6-2,14-10-8-7-9-11-14)16-19-13(3)15(20-16)12-18-4/h7-11,18H,5-6,12H2,1-4H3
InChIKeySGRVAAIATBMJJM-UHFFFAOYSA-N
XLogP4.28
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-methyl-2-(3-phenylpentan-3-yl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of N-methyl-1-[4-methyl-2-(3-phenylpentan-3-yl)-1,3-thiazol-5-yl]methanamine (CID 63081879) is N-methyl-1-[4-methyl-2-(3-phenylpentan-3-yl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for N-methyl-1-[4-methyl-2-(3-phenylpentan-3-yl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for N-methyl-1-[4-methyl-2-(3-phenylpentan-3-yl)-1,3-thiazol-5-yl]methanamine is CCC(CC)(c1ccccc1)c1nc(C)c(CNC)s1.
What is the InChIKey of N-methyl-1-[4-methyl-2-(3-phenylpentan-3-yl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is SGRVAAIATBMJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2S/c1-5-17(6-2,14-10-8-7-9-11-14)16-19-13(3)15(20-16)12-18-4/h7-11,18H,5-6,12H2,1-4H3.
What are the key properties of N-methyl-1-[4-methyl-2-(3-phenylpentan-3-yl)-1,3-thiazol-5-yl]methanamine?
N-methyl-1-[4-methyl-2-(3-phenylpentan-3-yl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 288.46 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-methyl-2-(3-phenylpentan-3-yl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 63081879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).