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

C15H20N2OS — CID 24714844

IUPACN-[[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]propan-2-amine
SMILESCc1cccc(OCc2nc(CNC(C)C)cs2)c1
InChIInChI=1S/C15H20N2OS/c1-11(2)16-8-13-10-19-15(17-13)9-18-14-6-4-5-12(3)7-14/h4-7,10-11,16H,8-9H2,1-3H3
InChIKeyAKUCSDMAKVSJBA-UHFFFAOYSA-N
MW276.41 g/mol
LogP3.53
Rot. Bonds6

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

N-[[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]propan-2-amine (PubChem CID 24714844) has the molecular formula C15H20N2OS and a molecular weight of 276.41 g/mol. Its IUPAC name is N-[[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]propan-2-amine
PubChem CID24714844
Molecular FormulaC15H20N2OS
Molecular Weight276.41 g/mol
Exact Mass276.13
IUPAC NameN-[[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]propan-2-amine
SMILESCc1cccc(OCc2nc(CNC(C)C)cs2)c1
InChIInChI=1S/C15H20N2OS/c1-11(2)16-8-13-10-19-15(17-13)9-18-14-6-4-5-12(3)7-14/h4-7,10-11,16H,8-9H2,1-3H3
InChIKeyAKUCSDMAKVSJBA-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-[[2-[(3-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 82193815
N-[[2-[(2,6-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 82193824
1-[[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-1,3-di(propan-2-yl)urea
CID 46009665
2-[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetate
CID 7745420
N-[[4-ethyl-2-[(3-methylphenoxy)methyl]-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 82428819
4-methoxy-N-[[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-propan-2-ylbenzenesulfonamide
CID 46009805
N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-1-naphthalen-2-ylethanamine
CID 112806718
N-[[4-[(4-bromo-3-methylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 83135292
N-[[2-[(2,5-dichlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 46013153
1-(3-methoxypropyl)-1-[[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-3-propan-2-ylurea
CID 46009675
1-[(2S)-butan-2-yl]-3-tert-butyl-1-[[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]urea
CID 93165992
4-methyl-N-[[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-propan-2-ylbenzamide
CID 46008746

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]propan-2-amine (CID 24714844) is N-[[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]propan-2-amine is Cc1cccc(OCc2nc(CNC(C)C)cs2)c1.
What is the InChIKey of N-[[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]propan-2-amine?
The InChIKey is AKUCSDMAKVSJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-11(2)16-8-13-10-19-15(17-13)9-18-14-6-4-5-12(3)7-14/h4-7,10-11,16H,8-9H2,1-3H3.
What are the key properties of N-[[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]propan-2-amine?
N-[[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]propan-2-amine 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-[[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 24714844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).