N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(4-propan-2-yloxyphenyl)ethanamine

C17H24N2OS — CID 60983008

IUPACN-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(4-propan-2-yloxyphenyl)ethanamine
SMILESCCc1ncc(CNC(C)c2ccc(OC(C)C)cc2)s1
InChIInChI=1S/C17H24N2OS/c1-5-17-19-11-16(21-17)10-18-13(4)14-6-8-15(9-7-14)20-12(2)3/h6-9,11-13,18H,5,10H2,1-4H3
InChIKeyJBKMISAFJNQVTL-UHFFFAOYSA-N
MW304.46 g/mol
LogP4.34
Rot. Bonds7

About N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(4-propan-2-yloxyphenyl)ethanamine

N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(4-propan-2-yloxyphenyl)ethanamine (PubChem CID 60983008) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(4-propan-2-yloxyphenyl)ethanamine.

Molecular Properties

Compound NameN-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(4-propan-2-yloxyphenyl)ethanamine
PubChem CID60983008
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC NameN-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(4-propan-2-yloxyphenyl)ethanamine
SMILESCCc1ncc(CNC(C)c2ccc(OC(C)C)cc2)s1
InChIInChI=1S/C17H24N2OS/c1-5-17-19-11-16(21-17)10-18-13(4)14-6-8-15(9-7-14)20-12(2)3/h6-9,11-13,18H,5,10H2,1-4H3
InChIKeyJBKMISAFJNQVTL-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-ethyl-1,3-thiazol-5-yl)methyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 60982900
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-(4-propan-2-yloxyphenyl)ethanamine
CID 60776659
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-pyridin-4-ylethanamine
CID 54883465
1-[4-(difluoromethoxy)phenyl]-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 103787139
4-[1-[(2-ethyl-1,3-thiazol-5-yl)methylamino]ethyl]benzonitrile
CID 55025430
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 60982911
4-(difluoromethoxy)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]aniline
CID 54883371
(1S)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-thiophen-2-ylethanamine
CID 81399072
(1S)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(2-methoxyphenyl)ethanamine
CID 81397300
(1S)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(2-methylphenyl)ethanamine
CID 81374720
1-(2-chlorophenyl)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 54883561
1-(4-ethoxyphenyl)-N-[(5-ethylthiophen-2-yl)methyl]ethanamine
CID 62345553

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(4-propan-2-yloxyphenyl)ethanamine?
The IUPAC name of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(4-propan-2-yloxyphenyl)ethanamine (CID 60983008) is N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(4-propan-2-yloxyphenyl)ethanamine.
What is the SMILES notation for N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(4-propan-2-yloxyphenyl)ethanamine?
The canonical SMILES for N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(4-propan-2-yloxyphenyl)ethanamine is CCc1ncc(CNC(C)c2ccc(OC(C)C)cc2)s1.
What is the InChIKey of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(4-propan-2-yloxyphenyl)ethanamine?
The InChIKey is JBKMISAFJNQVTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-5-17-19-11-16(21-17)10-18-13(4)14-6-8-15(9-7-14)20-12(2)3/h6-9,11-13,18H,5,10H2,1-4H3.
What are the key properties of N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(4-propan-2-yloxyphenyl)ethanamine?
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(4-propan-2-yloxyphenyl)ethanamine 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-ethyl-1,3-thiazol-5-yl)methyl]-1-(4-propan-2-yloxyphenyl)ethanamine is sourced from PubChem (CID 60983008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).