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

C18H21N3O2S — CID 97353561

IUPAC(1S)-1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine
SMILESCOc1ccc(-c2nc(C)c([C@H](C)NCc3ncc(C)o3)s2)cc1
InChIInChI=1S/C18H21N3O2S/c1-11-9-20-16(23-11)10-19-12(2)17-13(3)21-18(24-17)14-5-7-15(22-4)8-6-14/h5-9,12,19H,10H2,1-4H3/t12-/m0/s1
InChIKeyOIQXPVWNNQDJEX-LBPRGKRZSA-N
MW343.45 g/mol
LogP4.27
Rot. Bonds6

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

(1S)-1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine (PubChem CID 97353561) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is (1S)-1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine
PubChem CID97353561
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC Name(1S)-1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine
SMILESCOc1ccc(-c2nc(C)c([C@H](C)NCc3ncc(C)o3)s2)cc1
InChIInChI=1S/C18H21N3O2S/c1-11-9-20-16(23-11)10-19-12(2)17-13(3)21-18(24-17)14-5-7-15(22-4)8-6-14/h5-9,12,19H,10H2,1-4H3/t12-/m0/s1
InChIKeyOIQXPVWNNQDJEX-LBPRGKRZSA-N
XLogP4.27
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 113428992
1-(2,4-dimethoxyphenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 103913154
1-(4-methoxyphenyl)-2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propan-1-amine
CID 75483118
5-methoxy-2-[1-[(5-methyl-1,3-oxazol-2-yl)methylamino]ethyl]phenol
CID 106370137
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(3-methylthiophen-2-yl)ethanamine
CID 106369709
N-[1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]pyridin-2-amine
CID 133312372
N-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]propan-2-amine
CID 65183905
1-(5-methylfuran-2-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 104578495
2-hydroxy-N-[(1R)-1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methylpropanamide
CID 99834592
3-amino-N-[1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]butanamide;hydrochloride
CID 119787457
4-amino-N-[1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]pentanamide
CID 120562789
2-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethylamino]acetonitrile
CID 75521474

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine?
The IUPAC name of (1S)-1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine (CID 97353561) is (1S)-1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine.
What is the SMILES notation for (1S)-1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine?
The canonical SMILES for (1S)-1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine is COc1ccc(-c2nc(C)c([C@H](C)NCc3ncc(C)o3)s2)cc1.
What is the InChIKey of (1S)-1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine?
The InChIKey is OIQXPVWNNQDJEX-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-11-9-20-16(23-11)10-19-12(2)17-13(3)21-18(24-17)14-5-7-15(22-4)8-6-14/h5-9,12,19H,10H2,1-4H3/t12-/m0/s1.
What are the key properties of (1S)-1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine?
(1S)-1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine has a molecular weight of 343.45 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 97353561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).