N-[[2-(1-ethoxypropyl)-5-phenyl-1,3-thiazol-4-yl]methyl]ethanamine

C17H24N2OS — CID 116730641

IUPACN-[[2-(1-ethoxypropyl)-5-phenyl-1,3-thiazol-4-yl]methyl]ethanamine
SMILESCCNCc1nc(C(CC)OCC)sc1-c1ccccc1
InChIInChI=1S/C17H24N2OS/c1-4-15(20-6-3)17-19-14(12-18-5-2)16(21-17)13-10-8-7-9-11-13/h7-11,15,18H,4-6,12H2,1-3H3
InChIKeyVAOJKZGRFMICKK-UHFFFAOYSA-N
MW304.46 g/mol
LogP4.41
Rot. Bonds8

About N-[[2-(1-ethoxypropyl)-5-phenyl-1,3-thiazol-4-yl]methyl]ethanamine

N-[[2-(1-ethoxypropyl)-5-phenyl-1,3-thiazol-4-yl]methyl]ethanamine (PubChem CID 116730641) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is N-[[2-(1-ethoxypropyl)-5-phenyl-1,3-thiazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(1-ethoxypropyl)-5-phenyl-1,3-thiazol-4-yl]methyl]ethanamine
PubChem CID116730641
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC NameN-[[2-(1-ethoxypropyl)-5-phenyl-1,3-thiazol-4-yl]methyl]ethanamine
SMILESCCNCc1nc(C(CC)OCC)sc1-c1ccccc1
InChIInChI=1S/C17H24N2OS/c1-4-15(20-6-3)17-19-14(12-18-5-2)16(21-17)13-10-8-7-9-11-13/h7-11,15,18H,4-6,12H2,1-3H3
InChIKeyVAOJKZGRFMICKK-UHFFFAOYSA-N
XLogP4.41
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methylmorpholin-2-yl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]methanamine
CID 53615064
1-benzyl-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]pyrrolidin-3-amine
CID 56707683
1-benzyl-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-amine
CID 56711881
N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-3-(2-methyl-1,3-thiazol-4-yl)aniline
CID 71913718
1-benzyl-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-amine
CID 71921421
1-[(4,5-Dimethyl-1,3-thiazol-2-yl)methyl]-3-[[2-(2-methoxyethylamino)phenyl]methyl]urea
CID 71968908
N-[[2-(methoxymethyl)-5-phenyl-1,3-thiazol-4-yl]methyl]-3-sulfanylpropanamide
CID 177681015
2-ethoxy-N-{2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl}acetamide
CID 7518191
N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-1-(2-fluorophenyl)propan-2-amine
CID 50949095
4-[[4-(2,5-Difluorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]morpholine
CID 60332275
3-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline
CID 71913365
(1R)-N-[[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methyl]-1-phenylethanamine
CID 86782178

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-ethoxypropyl)-5-phenyl-1,3-thiazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(1-ethoxypropyl)-5-phenyl-1,3-thiazol-4-yl]methyl]ethanamine (CID 116730641) is N-[[2-(1-ethoxypropyl)-5-phenyl-1,3-thiazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(1-ethoxypropyl)-5-phenyl-1,3-thiazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(1-ethoxypropyl)-5-phenyl-1,3-thiazol-4-yl]methyl]ethanamine is CCNCc1nc(C(CC)OCC)sc1-c1ccccc1.
What is the InChIKey of N-[[2-(1-ethoxypropyl)-5-phenyl-1,3-thiazol-4-yl]methyl]ethanamine?
The InChIKey is VAOJKZGRFMICKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-4-15(20-6-3)17-19-14(12-18-5-2)16(21-17)13-10-8-7-9-11-13/h7-11,15,18H,4-6,12H2,1-3H3.
What are the key properties of N-[[2-(1-ethoxypropyl)-5-phenyl-1,3-thiazol-4-yl]methyl]ethanamine?
N-[[2-(1-ethoxypropyl)-5-phenyl-1,3-thiazol-4-yl]methyl]ethanamine has a molecular weight of 304.46 g/mol, XLogP of 4.41, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-ethoxypropyl)-5-phenyl-1,3-thiazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 116730641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).