3-methoxy-N-[(1S)-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]propan-1-amine

C15H21N3OS — CID 100648662

IUPAC3-methoxy-N-[(1S)-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]propan-1-amine
SMILESCOCCCN[C@@H](C)c1sc(-c2cccnc2)nc1C
InChIInChI=1S/C15H21N3OS/c1-11(17-8-5-9-19-3)14-12(2)18-15(20-14)13-6-4-7-16-10-13/h4,6-7,10-11,17H,5,8-9H2,1-3H3/t11-/m0/s1
InChIKeyQYFDZOOEKVERHL-NSHDSACASA-N
MW291.42 g/mol
LogP3.20
Rot. Bonds7

About 3-methoxy-N-[(1S)-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]propan-1-amine

3-methoxy-N-[(1S)-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]propan-1-amine (PubChem CID 100648662) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is 3-methoxy-N-[(1S)-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-[(1S)-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]propan-1-amine
PubChem CID100648662
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC Name3-methoxy-N-[(1S)-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]propan-1-amine
SMILESCOCCCN[C@@H](C)c1sc(-c2cccnc2)nc1C
InChIInChI=1S/C15H21N3OS/c1-11(17-8-5-9-19-3)14-12(2)18-15(20-14)13-6-4-7-16-10-13/h4,6-7,10-11,17H,5,8-9H2,1-3H3/t11-/m0/s1
InChIKeyQYFDZOOEKVERHL-NSHDSACASA-N
XLogP3.20
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-methoxy-N-[(1S)-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]propan-1-amine with MolForge

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Launch Full Analysis

Related Compounds

N-methyl-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethanamine
CID 61287607
3-methoxy-N-[(1S)-1-pyridin-3-ylethyl]propan-1-amine
CID 28673557
4-methoxy-N-[1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]pyridin-2-amine
CID 75498025
(1S)-1-(2,5-dimethylfuran-3-yl)-N-[(1R)-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]ethanamine
CID 97230992
N,4-dimethyl-2-pyridin-3-yl-1,3-thiazol-5-amine
CID 59580850
4-bromo-5-(3-methylbutan-2-yl)-2-pyridin-3-yl-1,3-thiazole
CID 160725077
N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 28560675
O-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]hydroxylamine
CID 143129382
N-[(4-ethyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine
CID 82428693
4-methyl-5-(1H-pyrazol-5-yl)-2-pyridin-3-yl-1,3-thiazole
CID 58416122
4-methyl-2-pyridin-3-yl-N-(1-pyrimidin-2-ylethyl)-1,3-thiazole-5-carboxamide
CID 58236230
4-methyl-N-[(2S)-pentan-2-yl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 27261975

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(1S)-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]propan-1-amine?
The IUPAC name of 3-methoxy-N-[(1S)-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]propan-1-amine (CID 100648662) is 3-methoxy-N-[(1S)-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]propan-1-amine.
What is the SMILES notation for 3-methoxy-N-[(1S)-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]propan-1-amine?
The canonical SMILES for 3-methoxy-N-[(1S)-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]propan-1-amine is COCCCN[C@@H](C)c1sc(-c2cccnc2)nc1C.
What is the InChIKey of 3-methoxy-N-[(1S)-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]propan-1-amine?
The InChIKey is QYFDZOOEKVERHL-NSHDSACASA-N. The full InChI is InChI=1S/C15H21N3OS/c1-11(17-8-5-9-19-3)14-12(2)18-15(20-14)13-6-4-7-16-10-13/h4,6-7,10-11,17H,5,8-9H2,1-3H3/t11-/m0/s1.
What are the key properties of 3-methoxy-N-[(1S)-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]propan-1-amine?
3-methoxy-N-[(1S)-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]propan-1-amine has a molecular weight of 291.42 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[(1S)-1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]propan-1-amine is sourced from PubChem (CID 100648662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).