(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

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

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Related Compounds

N-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-2-pyridin-3-ylethanamine
CID 53624038
N-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1-pyridin-3-ylmethanamine
CID 56810052
4-methoxy-N-(1,3-thiazol-4-ylmethyl)pyridin-3-amine
CID 75386240
4-[(2-methylpropan-2-yl)oxy]-N-(1,3-thiazol-4-ylmethyl)pyridin-3-amine
CID 75388379
SF2738E
CID 10017861
2-(4-Methyl-1,3-thiazol-5-yl)-2-(4-phenoxypiperidin-1-yl)ethanamine
CID 118297265
5-Methoxy-2-pyridyl-thiazole
CID 88979549
1-(4-methoxypyridin-2-yl)-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 91840477
N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-methoxypyridine-2-carboxamide
CID 100042382
1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-4-amine
CID 126787482
(2S)-1-(2-methoxy-4-pyridinyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine
CID 164630847
2-[4-(Difluoromethyl)-1,3-thiazol-5-yl]-2-(4-pyridin-2-yloxypiperidin-1-yl)ethanamine
CID 164530270

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).