2-methyl-N-[[2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]propan-1-amine

C16H22N2OS — CID 42837275

IUPAC2-methyl-N-[[2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]propan-1-amine
SMILESCc1ccccc1OCc1nc(CNCC(C)C)cs1
InChIInChI=1S/C16H22N2OS/c1-12(2)8-17-9-14-11-20-16(18-14)10-19-15-7-5-4-6-13(15)3/h4-7,11-12,17H,8-10H2,1-3H3
InChIKeyQOXDPRNKGFSJIT-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.78
Rot. Bonds7

About 2-methyl-N-[[2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]propan-1-amine

2-methyl-N-[[2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]propan-1-amine (PubChem CID 42837275) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is 2-methyl-N-[[2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]propan-1-amine
PubChem CID42837275
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name2-methyl-N-[[2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]propan-1-amine
SMILESCc1ccccc1OCc1nc(CNCC(C)C)cs1
InChIInChI=1S/C16H22N2OS/c1-12(2)8-17-9-14-11-20-16(18-14)10-19-15-7-5-4-6-13(15)3/h4-7,11-12,17H,8-10H2,1-3H3
InChIKeyQOXDPRNKGFSJIT-UHFFFAOYSA-N
XLogP3.78
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-[(2-ethylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine
CID 62486609
1-[2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl]ethanamine
CID 20982880
2-amino-3-[2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl]propanoic acid
CID 82021609
N-[[2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)propanamide
CID 46009379
N-[[2-[(2,6-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 82193824
1-[2-[(2-ethoxyphenoxy)methyl]-1,3-thiazol-4-yl]-N-methylmethanamine
CID 82193855
1-butan-2-yl-3-tert-butyl-1-[[2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]urea
CID 46009736
1-[(2R)-butan-2-yl]-1-[[2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-3-propan-2-ylurea
CID 93166017
1-(2-methylphenoxy)-3-[(4-methyl-1,3-thiazol-2-yl)methylamino]propan-2-ol
CID 61042993
2-methyl-4-[(2-methylphenoxy)methyl]-1,3-thiazole
CID 60645457
N-butan-2-yl-2-methyl-N-[[2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide
CID 46009415
N-[[4-[(2-chloro-5-methylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-1-amine
CID 62485876

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]propan-1-amine (CID 42837275) is 2-methyl-N-[[2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]propan-1-amine is Cc1ccccc1OCc1nc(CNCC(C)C)cs1.
What is the InChIKey of 2-methyl-N-[[2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]propan-1-amine?
The InChIKey is QOXDPRNKGFSJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-12(2)8-17-9-14-11-20-16(18-14)10-19-15-7-5-4-6-13(15)3/h4-7,11-12,17H,8-10H2,1-3H3.
What are the key properties of 2-methyl-N-[[2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]propan-1-amine?
2-methyl-N-[[2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]propan-1-amine has a molecular weight of 290.43 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-[(2-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 42837275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).