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

C16H22N2OS — CID 63326875

IUPACN-[[5-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]propan-2-amine
SMILESCc1ccc(OCc2csc(C)n2)c(CNC(C)C)c1
InChIInChI=1S/C16H22N2OS/c1-11(2)17-8-14-7-12(3)5-6-16(14)19-9-15-10-20-13(4)18-15/h5-7,10-11,17H,8-9H2,1-4H3
InChIKeyJIQIXQFAYZRTGV-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.84
Rot. Bonds6

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

N-[[5-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]propan-2-amine (PubChem CID 63326875) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is N-[[5-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]propan-2-amine
PubChem CID63326875
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC NameN-[[5-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]propan-2-amine
SMILESCc1ccc(OCc2csc(C)n2)c(CNC(C)C)c1
InChIInChI=1S/C16H22N2OS/c1-11(2)17-8-14-7-12(3)5-6-16(14)19-9-15-10-20-13(4)18-15/h5-7,10-11,17H,8-9H2,1-4H3
InChIKeyJIQIXQFAYZRTGV-UHFFFAOYSA-N
XLogP3.84
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[5-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]propan-2-amine with MolForge

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Related Compounds

N-[[5-bromo-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]propan-2-amine
CID 60883305
2-methyl-N-[[5-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]propan-2-amine
CID 63327109
N-[[5-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]cyclopropanamine
CID 63326800
N-[[3-fluoro-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]propan-2-amine
CID 107687734
N-[[2-[(4-bromothiophen-2-yl)methoxy]-5-methylphenyl]methyl]propan-2-amine
CID 63486928
N-[[5-methyl-2-[(4-methylphenyl)methoxy]phenyl]methyl]propan-2-amine
CID 63486234
(1R)-1-[4-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanol
CID 55245155
N-[[5-methyl-2-(thiophen-2-ylmethoxy)phenyl]methyl]propan-2-amine
CID 63326619
N-[[5-chloro-2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]propan-2-amine
CID 61484700
N-[[3,5-dichloro-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]propan-2-amine
CID 60888100
N-[[2-(4-methoxybutoxy)-5-methylphenyl]methyl]propan-2-amine
CID 104647081
N-[1-[5-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]ethylidene]hydroxylamine
CID 77103658

Frequently Asked Questions

What is the IUPAC name of N-[[5-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[5-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]propan-2-amine (CID 63326875) is N-[[5-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]propan-2-amine is Cc1ccc(OCc2csc(C)n2)c(CNC(C)C)c1.
What is the InChIKey of N-[[5-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]propan-2-amine?
The InChIKey is JIQIXQFAYZRTGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-11(2)17-8-14-7-12(3)5-6-16(14)19-9-15-10-20-13(4)18-15/h5-7,10-11,17H,8-9H2,1-4H3.
What are the key properties of N-[[5-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]propan-2-amine?
N-[[5-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]propan-2-amine has a molecular weight of 290.43 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]propan-2-amine is sourced from PubChem (CID 63326875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).