2-methyl-N-[[3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methyl]propan-1-amine

C17H24N2OS — CID 63056913

IUPAC2-methyl-N-[[3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methyl]propan-1-amine
SMILESCc1ncsc1CCOc1cccc(CNCC(C)C)c1
InChIInChI=1S/C17H24N2OS/c1-13(2)10-18-11-15-5-4-6-16(9-15)20-8-7-17-14(3)19-12-21-17/h4-6,9,12-13,18H,7-8,10-11H2,1-3H3
InChIKeyHPIUBJMKWDCZCF-UHFFFAOYSA-N
MW304.46 g/mol
LogP3.82
Rot. Bonds8

About 2-methyl-N-[[3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methyl]propan-1-amine

2-methyl-N-[[3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methyl]propan-1-amine (PubChem CID 63056913) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is 2-methyl-N-[[3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methyl]propan-1-amine
PubChem CID63056913
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC Name2-methyl-N-[[3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methyl]propan-1-amine
SMILESCc1ncsc1CCOc1cccc(CNCC(C)C)c1
InChIInChI=1S/C17H24N2OS/c1-13(2)10-18-11-15-5-4-6-16(9-15)20-8-7-17-14(3)19-12-21-17/h4-6,9,12-13,18H,7-8,10-11H2,1-3H3
InChIKeyHPIUBJMKWDCZCF-UHFFFAOYSA-N
XLogP3.82
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-[[3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methyl]ethanamine
CID 63056921
2-methyl-N-[[4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-3-pyridinyl]methyl]propan-1-amine
CID 81253660
2-methyl-N-[[5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyrazin-2-yl]methyl]propan-1-amine
CID 107381426
1-[3-(difluoromethyl)phenyl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 113328749
2-methyl-N-[[3-(2-thiomorpholin-4-ylethoxy)phenyl]methyl]propan-1-amine
CID 62418261
N-[(3-bromophenyl)methyl]-2-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 62070812
1-methoxy-3-[3-[(2-methylpropylamino)methyl]phenoxy]propan-2-ol
CID 63928987
2-methyl-N-[[3-(3-pyrrolidin-1-ylpropoxy)phenyl]methyl]propan-1-amine
CID 63055726
2-methyl-N-[[3-[(3-methylphenoxy)methyl]phenyl]methyl]propan-1-amine
CID 63497350
2-[3-[(2-methylpropylamino)methyl]phenoxy]acetic acid
CID 102535865
1-(2-methylpropylamino)-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propan-2-ol
CID 60635617
methyl 2-[3-[(2-methylpropylamino)methyl]phenoxy]acetate
CID 63057754

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methyl]propan-1-amine (CID 63056913) is 2-methyl-N-[[3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methyl]propan-1-amine is Cc1ncsc1CCOc1cccc(CNCC(C)C)c1.
What is the InChIKey of 2-methyl-N-[[3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methyl]propan-1-amine?
The InChIKey is HPIUBJMKWDCZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-13(2)10-18-11-15-5-4-6-16(9-15)20-8-7-17-14(3)19-12-21-17/h4-6,9,12-13,18H,7-8,10-11H2,1-3H3.
What are the key properties of 2-methyl-N-[[3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methyl]propan-1-amine?
2-methyl-N-[[3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methyl]propan-1-amine has a molecular weight of 304.46 g/mol, XLogP of 3.82, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methyl]propan-1-amine is sourced from PubChem (CID 63056913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).