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

C17H24N2O3S — CID 95180733

IUPAC(1S)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(3,4,5-trimethoxyphenyl)ethanamine
SMILESCCc1nc(CN[C@@H](C)c2cc(OC)c(OC)c(OC)c2)cs1
InChIInChI=1S/C17H24N2O3S/c1-6-16-19-13(10-23-16)9-18-11(2)12-7-14(20-3)17(22-5)15(8-12)21-4/h7-8,10-11,18H,6,9H2,1-5H3/t11-/m0/s1
InChIKeySDBNQEMNSAVZBS-NSHDSACASA-N
MW336.46 g/mol
LogP3.58
Rot. Bonds8

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

(1S)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(3,4,5-trimethoxyphenyl)ethanamine (PubChem CID 95180733) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is (1S)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(3,4,5-trimethoxyphenyl)ethanamine.

Molecular Properties

Compound Name(1S)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(3,4,5-trimethoxyphenyl)ethanamine
PubChem CID95180733
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC Name(1S)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(3,4,5-trimethoxyphenyl)ethanamine
SMILESCCc1nc(CN[C@@H](C)c2cc(OC)c(OC)c(OC)c2)cs1
InChIInChI=1S/C17H24N2O3S/c1-6-16-19-13(10-23-16)9-18-11(2)12-7-14(20-3)17(22-5)15(8-12)21-4/h7-8,10-11,18H,6,9H2,1-5H3/t11-/m0/s1
InChIKeySDBNQEMNSAVZBS-NSHDSACASA-N
XLogP3.58
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (1S)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(3,4,5-trimethoxyphenyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3,4,5-trimethoxyaniline
CID 60727820
1-(4-bromophenyl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 60726588
(1S)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-pyridin-4-ylethanamine
CID 81409765
(1S)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(3-fluorophenyl)ethanamine
CID 81365728
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]pentan-3-amine
CID 60727178
1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-methyl-3-[(3,4,5-trimethoxyphenyl)methyl]guanidine;hydroiodide
CID 111832942
2-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-3-methylpentan-1-ol
CID 115644894
N-[(5-methyl-2-pyridinyl)methyl]-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 71969191
N-[4-[(1R)-1-[(2-ethyl-1,3-thiazol-4-yl)methylamino]ethyl]phenyl]propanamide
CID 95180705
N-(thiophen-3-ylmethyl)-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 63002073
N-[(4-methoxyphenyl)methyl]-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 119126875
(1S)-1-[4-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-3-methoxyphenyl]ethanol
CID 78931623

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(3,4,5-trimethoxyphenyl)ethanamine?
The IUPAC name of (1S)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(3,4,5-trimethoxyphenyl)ethanamine (CID 95180733) is (1S)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(3,4,5-trimethoxyphenyl)ethanamine.
What is the SMILES notation for (1S)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(3,4,5-trimethoxyphenyl)ethanamine?
The canonical SMILES for (1S)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(3,4,5-trimethoxyphenyl)ethanamine is CCc1nc(CN[C@@H](C)c2cc(OC)c(OC)c(OC)c2)cs1.
What is the InChIKey of (1S)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(3,4,5-trimethoxyphenyl)ethanamine?
The InChIKey is SDBNQEMNSAVZBS-NSHDSACASA-N. The full InChI is InChI=1S/C17H24N2O3S/c1-6-16-19-13(10-23-16)9-18-11(2)12-7-14(20-3)17(22-5)15(8-12)21-4/h7-8,10-11,18H,6,9H2,1-5H3/t11-/m0/s1.
What are the key properties of (1S)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(3,4,5-trimethoxyphenyl)ethanamine?
(1S)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(3,4,5-trimethoxyphenyl)ethanamine has a molecular weight of 336.46 g/mol, XLogP of 3.58, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(3,4,5-trimethoxyphenyl)ethanamine is sourced from PubChem (CID 95180733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).