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

C13H17N3OS — CID 164629583

IUPAC(1S)-1-(4-methoxy-2-pyridinyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
SMILESCOc1ccnc([C@H](C)NCc2scnc2C)c1
InChIInChI=1S/C13H17N3OS/c1-9(12-6-11(17-3)4-5-14-12)15-7-13-10(2)16-8-18-13/h4-6,8-9,15H,7H2,1-3H3/t9-/m0/s1
InChIKeyFUJLDPKQEABTFL-VIFPVBQESA-N
MW263.37 g/mol
LogP2.71
Rot. Bonds5

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

(1S)-1-(4-methoxy-2-pyridinyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine (PubChem CID 164629583) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is (1S)-1-(4-methoxy-2-pyridinyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-(4-methoxy-2-pyridinyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
PubChem CID164629583
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name(1S)-1-(4-methoxy-2-pyridinyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
SMILESCOc1ccnc([C@H](C)NCc2scnc2C)c1
InChIInChI=1S/C13H17N3OS/c1-9(12-6-11(17-3)4-5-14-12)15-7-13-10(2)16-8-18-13/h4-6,8-9,15H,7H2,1-3H3/t9-/m0/s1
InChIKeyFUJLDPKQEABTFL-VIFPVBQESA-N
XLogP2.71
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-methoxy-2-pyridinyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine?
The IUPAC name of (1S)-1-(4-methoxy-2-pyridinyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine (CID 164629583) is (1S)-1-(4-methoxy-2-pyridinyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine.
What is the SMILES notation for (1S)-1-(4-methoxy-2-pyridinyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine?
The canonical SMILES for (1S)-1-(4-methoxy-2-pyridinyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine is COc1ccnc([C@H](C)NCc2scnc2C)c1.
What is the InChIKey of (1S)-1-(4-methoxy-2-pyridinyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine?
The InChIKey is FUJLDPKQEABTFL-VIFPVBQESA-N. The full InChI is InChI=1S/C13H17N3OS/c1-9(12-6-11(17-3)4-5-14-12)15-7-13-10(2)16-8-18-13/h4-6,8-9,15H,7H2,1-3H3/t9-/m0/s1.
What are the key properties of (1S)-1-(4-methoxy-2-pyridinyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine?
(1S)-1-(4-methoxy-2-pyridinyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine has a molecular weight of 263.37 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-methoxy-2-pyridinyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 164629583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).