3-ethyl-3-methoxy-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-amine

C17H24N2OS — CID 116760500

IUPAC3-ethyl-3-methoxy-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-amine
SMILESCCC(CC)(OC)C(N)Cc1nc(-c2ccccc2)cs1
InChIInChI=1S/C17H24N2OS/c1-4-17(5-2,20-3)15(18)11-16-19-14(12-21-16)13-9-7-6-8-10-13/h6-10,12,15H,4-5,11,18H2,1-3H3
InChIKeyJMVIXFWOMYWQQC-UHFFFAOYSA-N
MW304.46 g/mol
LogP3.89
Rot. Bonds7

About 3-ethyl-3-methoxy-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-amine

3-ethyl-3-methoxy-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-amine (PubChem CID 116760500) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is 3-ethyl-3-methoxy-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-amine.

Molecular Properties

Compound Name3-ethyl-3-methoxy-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-amine
PubChem CID116760500
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC Name3-ethyl-3-methoxy-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-amine
SMILESCCC(CC)(OC)C(N)Cc1nc(-c2ccccc2)cs1
InChIInChI=1S/C17H24N2OS/c1-4-17(5-2,20-3)15(18)11-16-19-14(12-21-16)13-9-7-6-8-10-13/h6-10,12,15H,4-5,11,18H2,1-3H3
InChIKeyJMVIXFWOMYWQQC-UHFFFAOYSA-N
XLogP3.89
TPSA48.14 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 ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-3-methyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-ol
CID 79820192
4-methoxy-4-methyl-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-ol
CID 103027611
1-(3-ethylthiophen-2-yl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine
CID 105006670
5-methoxy-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-amine
CID 79819900
2,3-dimethyl-4-(4-phenyl-1,3-thiazol-2-yl)butan-1-amine
CID 81010215
3-ethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pentan-3-amine
CID 65039690
3-methyl-1-(4-phenyl-1,3-thiazol-2-yl)hexan-2-amine
CID 105006692
4-ethylsulfanyl-1-(4-phenyl-1,3-thiazol-2-yl)butan-2-ol
CID 116504657
1-(2-methylpropylsulfanyl)-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-amine
CID 79819598
[3-methyl-1-(4-phenyl-1,3-thiazol-2-yl)hexan-2-yl]hydrazine
CID 105320685
O-[(4-phenyl-1,3-thiazol-2-yl)methyl]hydroxylamine
CID 39241198
1-(1-ethylcyclopentyl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanamine
CID 105006703

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-methoxy-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-amine?
The IUPAC name of 3-ethyl-3-methoxy-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-amine (CID 116760500) is 3-ethyl-3-methoxy-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-amine.
What is the SMILES notation for 3-ethyl-3-methoxy-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-amine?
The canonical SMILES for 3-ethyl-3-methoxy-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-amine is CCC(CC)(OC)C(N)Cc1nc(-c2ccccc2)cs1.
What is the InChIKey of 3-ethyl-3-methoxy-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-amine?
The InChIKey is JMVIXFWOMYWQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-4-17(5-2,20-3)15(18)11-16-19-14(12-21-16)13-9-7-6-8-10-13/h6-10,12,15H,4-5,11,18H2,1-3H3.
What are the key properties of 3-ethyl-3-methoxy-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-amine?
3-ethyl-3-methoxy-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-amine has a molecular weight of 304.46 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-methoxy-1-(4-phenyl-1,3-thiazol-2-yl)pentan-2-amine is sourced from PubChem (CID 116760500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).