N-methyl-1-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]methanamine

C15H20N2S — CID 3528202

IUPACN-methyl-1-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]methanamine
SMILESCNCc1nc(-c2ccc(CC(C)C)cc2)cs1
InChIInChI=1S/C15H20N2S/c1-11(2)8-12-4-6-13(7-5-12)14-10-18-15(17-14)9-16-3/h4-7,10-11,16H,8-9H2,1-3H3
InChIKeyRLAYPWWXOWXWLJ-UHFFFAOYSA-N
MW260.41 g/mol
LogP3.73
Rot. Bonds5

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

N-methyl-1-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]methanamine (PubChem CID 3528202) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is N-methyl-1-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]methanamine
PubChem CID3528202
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC NameN-methyl-1-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]methanamine
SMILESCNCc1nc(-c2ccc(CC(C)C)cc2)cs1
InChIInChI=1S/C15H20N2S/c1-11(2)8-12-4-6-13(7-5-12)14-10-18-15(17-14)9-16-3/h4-7,10-11,16H,8-9H2,1-3H3
InChIKeyRLAYPWWXOWXWLJ-UHFFFAOYSA-N
XLogP3.73
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 53.73
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-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]methanamine?
The IUPAC name of N-methyl-1-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]methanamine (CID 3528202) is N-methyl-1-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]methanamine is CNCc1nc(-c2ccc(CC(C)C)cc2)cs1.
What is the InChIKey of N-methyl-1-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]methanamine?
The InChIKey is RLAYPWWXOWXWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-11(2)8-12-4-6-13(7-5-12)14-10-18-15(17-14)9-16-3/h4-7,10-11,16H,8-9H2,1-3H3.
What are the key properties of N-methyl-1-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]methanamine?
N-methyl-1-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]methanamine has a molecular weight of 260.41 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]methanamine is sourced from PubChem (CID 3528202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).