N-[[4-[(3-ethylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine

C17H24N2OS — CID 62450130

IUPACN-[[4-[(3-ethylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine
SMILESCCc1cccc(OCc2csc(CNC(C)(C)C)n2)c1
InChIInChI=1S/C17H24N2OS/c1-5-13-7-6-8-15(9-13)20-11-14-12-21-16(19-14)10-18-17(2,3)4/h6-9,12,18H,5,10-11H2,1-4H3
InChIKeyVXTGXZPAIQXNJV-UHFFFAOYSA-N
MW304.46 g/mol
LogP4.17
Rot. Bonds6

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

N-[[4-[(3-ethylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine (PubChem CID 62450130) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is N-[[4-[(3-ethylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[4-[(3-ethylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine
PubChem CID62450130
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC NameN-[[4-[(3-ethylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine
SMILESCCc1cccc(OCc2csc(CNC(C)(C)C)n2)c1
InChIInChI=1S/C17H24N2OS/c1-5-13-7-6-8-15(9-13)20-11-14-12-21-16(19-14)10-18-17(2,3)4/h6-9,12,18H,5,10-11H2,1-4H3
InChIKeyVXTGXZPAIQXNJV-UHFFFAOYSA-N
XLogP4.17
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[[4-(phenoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 62454477
N-[[4-[(3-chloro-4-fluorophenoxy)methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 63879023
1-[2-[2-(3-ethylphenoxy)ethyl]-1,3-thiazol-4-yl]-N-methylmethanamine
CID 82193897
N-[[6-(3-ethylphenoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 62298097
1-[4-[(3-chlorophenoxy)methyl]-1,3-thiazol-2-yl]-N-methylmethanamine
CID 55076708
2-methyl-N-[[4-(pentoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 62449895
N-ethyl-6-[(3-ethylphenoxy)methyl]pyridin-2-amine
CID 79239613
3-ethyl-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]aniline
CID 60727503
2-methyl-N-[(3-phenylmethoxyphenyl)methyl]propan-2-amine
CID 4721452
N-[[3-[(4-bromothiophen-2-yl)methoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 63056052
6-[(3-ethylphenoxy)methyl]pyridin-2-amine
CID 79239703
2-chloro-6-[(3-ethylphenoxy)methyl]pyridine
CID 79240680

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(3-ethylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[4-[(3-ethylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine (CID 62450130) is N-[[4-[(3-ethylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[4-[(3-ethylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[4-[(3-ethylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine is CCc1cccc(OCc2csc(CNC(C)(C)C)n2)c1.
What is the InChIKey of N-[[4-[(3-ethylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is VXTGXZPAIQXNJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-5-13-7-6-8-15(9-13)20-11-14-12-21-16(19-14)10-18-17(2,3)4/h6-9,12,18H,5,10-11H2,1-4H3.
What are the key properties of N-[[4-[(3-ethylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine?
N-[[4-[(3-ethylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 304.46 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(3-ethylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62450130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).