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

C17H24N2OS — CID 82193815

IUPACN-[[2-[(3-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1csc(COc2cccc(C(C)C)c2)n1
InChIInChI=1S/C17H24N2OS/c1-12(2)14-6-5-7-16(8-14)20-10-17-19-15(11-21-17)9-18-13(3)4/h5-8,11-13,18H,9-10H2,1-4H3
InChIKeyHWPMVJYFEBVDMJ-UHFFFAOYSA-N
MW304.46 g/mol
LogP4.34
Rot. Bonds7

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

N-[[2-[(3-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]propan-2-amine (PubChem CID 82193815) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is N-[[2-[(3-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-[(3-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]propan-2-amine
PubChem CID82193815
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC NameN-[[2-[(3-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1csc(COc2cccc(C(C)C)c2)n1
InChIInChI=1S/C17H24N2OS/c1-12(2)14-6-5-7-16(8-14)20-10-17-19-15(11-21-17)9-18-13(3)4/h5-8,11-13,18H,9-10H2,1-4H3
InChIKeyHWPMVJYFEBVDMJ-UHFFFAOYSA-N
XLogP4.34
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 24714844
N-[[2-[(2,6-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 82193824
[2-[2-(3-propan-2-ylphenoxy)ethyl]-1,3-thiazol-4-yl]methanamine
CID 82104681
[2-[2-(3-propan-2-ylphenoxy)ethyl]-1,3-thiazol-4-yl]methanethiol
CID 82516432
N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-1-naphthalen-2-ylethanamine
CID 112806718
N-[[2-[(2,5-dichlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 46013153
N-[[4-(3-propan-2-ylphenoxy)-2-pyridinyl]methyl]propan-2-amine
CID 62297099
(2R)-3-methyl-2-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methylamino]butanoic acid
CID 120511103
1-(3-methoxyphenyl)-2-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methylamino]ethanol
CID 154748611
(1S)-1-[3-[(2-propyl-1,3-thiazol-4-yl)methoxy]phenyl]ethanol
CID 78933888
N-[[4-[(4-bromo-3-methylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 83135292
N-[[3-[(3-propan-2-ylphenoxy)methyl]furan-2-yl]methyl]propan-2-amine
CID 62454863

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(3-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-[(3-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]propan-2-amine (CID 82193815) is N-[[2-[(3-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-[(3-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-[(3-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]propan-2-amine is CC(C)NCc1csc(COc2cccc(C(C)C)c2)n1.
What is the InChIKey of N-[[2-[(3-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]propan-2-amine?
The InChIKey is HWPMVJYFEBVDMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-12(2)14-6-5-7-16(8-14)20-10-17-19-15(11-21-17)9-18-13(3)4/h5-8,11-13,18H,9-10H2,1-4H3.
What are the key properties of N-[[2-[(3-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]propan-2-amine?
N-[[2-[(3-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]propan-2-amine has a molecular weight of 304.46 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(3-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 82193815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).