N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-(2-propan-2-yloxyphenyl)methanamine

C15H20N2OS — CID 103700595

IUPACN-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-(2-propan-2-yloxyphenyl)methanamine
SMILESCc1cnc(CNCc2ccccc2OC(C)C)s1
InChIInChI=1S/C15H20N2OS/c1-11(2)18-14-7-5-4-6-13(14)9-16-10-15-17-8-12(3)19-15/h4-8,11,16H,9-10H2,1-3H3
InChIKeyYRGNYSNVVWOPNC-UHFFFAOYSA-N
MW276.41 g/mol
LogP3.53
Rot. Bonds6

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

N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-(2-propan-2-yloxyphenyl)methanamine (PubChem CID 103700595) has the molecular formula C15H20N2OS and a molecular weight of 276.41 g/mol. Its IUPAC name is N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-(2-propan-2-yloxyphenyl)methanamine.

Molecular Properties

Compound NameN-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-(2-propan-2-yloxyphenyl)methanamine
PubChem CID103700595
Molecular FormulaC15H20N2OS
Molecular Weight276.41 g/mol
Exact Mass276.13
IUPAC NameN-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-(2-propan-2-yloxyphenyl)methanamine
SMILESCc1cnc(CNCc2ccccc2OC(C)C)s1
InChIInChI=1S/C15H20N2OS/c1-11(2)18-14-7-5-4-6-13(14)9-16-10-15-17-8-12(3)19-15/h4-8,11,16H,9-10H2,1-3H3
InChIKeyYRGNYSNVVWOPNC-UHFFFAOYSA-N
XLogP3.53
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-methylpyrazin-2-yl)methyl]-1-(2-propan-2-yloxyphenyl)methanamine
CID 62848075
1-(2-methoxyphenyl)-N-[[5-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]methyl]methanamine
CID 53273236
1-(2-propan-2-yloxyphenyl)-N-(pyridin-2-ylmethyl)methanamine
CID 39358305
1-(2-methoxyphenyl)-N-[[5-(2-methylphenyl)-1,3-thiazol-2-yl]methyl]methanamine
CID 53272508
N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-(2,4,5-trimethoxyphenyl)methanamine
CID 103700761
(2S)-1-[(2-propan-2-yloxyphenyl)methylamino]propan-2-ol
CID 51675528
N-[(3-ethyl-2-pyridinyl)methyl]-1-(2-propan-2-yloxyphenyl)methanamine
CID 82733879
N-[(2-propan-2-yloxyphenyl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104588784
1-(2-methoxyphenyl)-N-[[5-(4-phenylphenyl)-1,3-thiazol-2-yl]methyl]methanamine
CID 53272659
N-[(5-methyl-1,3-thiazol-2-yl)methyl]-4-phenylbutan-2-amine
CID 103729859
1-(5-methylthiophen-2-yl)-N-[(2-propan-2-yloxyphenyl)methyl]ethanamine
CID 61473078
N-[[5-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl]-1-(2-methoxyphenyl)methanamine
CID 53272234

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-(2-propan-2-yloxyphenyl)methanamine?
The IUPAC name of N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-(2-propan-2-yloxyphenyl)methanamine (CID 103700595) is N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-(2-propan-2-yloxyphenyl)methanamine.
What is the SMILES notation for N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-(2-propan-2-yloxyphenyl)methanamine?
The canonical SMILES for N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-(2-propan-2-yloxyphenyl)methanamine is Cc1cnc(CNCc2ccccc2OC(C)C)s1.
What is the InChIKey of N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-(2-propan-2-yloxyphenyl)methanamine?
The InChIKey is YRGNYSNVVWOPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-11(2)18-14-7-5-4-6-13(14)9-16-10-15-17-8-12(3)19-15/h4-8,11,16H,9-10H2,1-3H3.
What are the key properties of N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-(2-propan-2-yloxyphenyl)methanamine?
N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-(2-propan-2-yloxyphenyl)methanamine has a molecular weight of 276.41 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-(2-propan-2-yloxyphenyl)methanamine is sourced from PubChem (CID 103700595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).