N-[(2-benzyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-2-amine

C15H20N2S — CID 62404630

IUPACN-[(2-benzyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cnc(Cc2ccccc2)s1
InChIInChI=1S/C15H20N2S/c1-15(2,3)17-11-13-10-16-14(18-13)9-12-7-5-4-6-8-12/h4-8,10,17H,9,11H2,1-3H3
InChIKeyAAAWGKUWLGHZCQ-UHFFFAOYSA-N
MW260.41 g/mol
LogP3.62
Rot. Bonds4

About N-[(2-benzyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-2-amine

N-[(2-benzyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-2-amine (PubChem CID 62404630) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is N-[(2-benzyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(2-benzyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-2-amine
PubChem CID62404630
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC NameN-[(2-benzyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cnc(Cc2ccccc2)s1
InChIInChI=1S/C15H20N2S/c1-15(2,3)17-11-13-10-16-14(18-13)9-12-7-5-4-6-8-12/h4-8,10,17H,9,11H2,1-3H3
InChIKeyAAAWGKUWLGHZCQ-UHFFFAOYSA-N
XLogP3.62
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[[2-(pyridin-4-ylmethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 62551604
N-[(2-benzyl-1,3-thiazol-5-yl)methyl]butan-1-amine
CID 82422371
N-[[2-[(2-chloro-6-fluorophenyl)methyl]-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 63023881
N-[[2-[(3-chloro-2-fluorophenyl)methyl]-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 82805503
N-[[2-[(2-fluorophenyl)sulfanylmethyl]-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 66083649
N-[[2-(tert-butylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 65138358
5-benzyl-2-tert-butyl-1,3-thiazole
CID 59286620
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methylpropan-2-amine
CID 62653886
N-[[2-(2,3-dihydro-1H-inden-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 65405624
N-[[2-[(4-methylphenyl)methyl]-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 62329930
N-[[2-[(3-fluorophenyl)methyl]-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 61281353
N-[[2-[(4-bromophenyl)methyl]-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 61283101

Frequently Asked Questions

What is the IUPAC name of N-[(2-benzyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(2-benzyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-2-amine (CID 62404630) is N-[(2-benzyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(2-benzyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(2-benzyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1cnc(Cc2ccccc2)s1.
What is the InChIKey of N-[(2-benzyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-2-amine?
The InChIKey is AAAWGKUWLGHZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-15(2,3)17-11-13-10-16-14(18-13)9-12-7-5-4-6-8-12/h4-8,10,17H,9,11H2,1-3H3.
What are the key properties of N-[(2-benzyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-2-amine?
N-[(2-benzyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-2-amine has a molecular weight of 260.41 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-benzyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62404630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).