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

C14H19N3OS — CID 124846660

IUPAC(2S)-N-[(1S)-1-(2-methoxy-4-pyridinyl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine
SMILESCOc1cc([C@H](C)NC[C@H](C)c2nccs2)ccn1
InChIInChI=1S/C14H19N3OS/c1-10(14-16-6-7-19-14)9-17-11(2)12-4-5-15-13(8-12)18-3/h4-8,10-11,17H,9H2,1-3H3/t10-,11-/m0/s1
InChIKeyJCYQRLZKOKPNKB-QWRGUYRKSA-N
MW277.39 g/mol
LogP3.00
Rot. Bonds6

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

(2S)-N-[(1S)-1-(2-methoxy-4-pyridinyl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine (PubChem CID 124846660) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is (2S)-N-[(1S)-1-(2-methoxy-4-pyridinyl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name(2S)-N-[(1S)-1-(2-methoxy-4-pyridinyl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine
PubChem CID124846660
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name(2S)-N-[(1S)-1-(2-methoxy-4-pyridinyl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine
SMILESCOc1cc([C@H](C)NC[C@H](C)c2nccs2)ccn1
InChIInChI=1S/C14H19N3OS/c1-10(14-16-6-7-19-14)9-17-11(2)12-4-5-15-13(8-12)18-3/h4-8,10-11,17H,9H2,1-3H3/t10-,11-/m0/s1
InChIKeyJCYQRLZKOKPNKB-QWRGUYRKSA-N
XLogP3.00
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104585048
N-[1-(2-fluoro-4-methoxyphenyl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104584918
N-[1-(3-nitrophenyl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104585029
3-[1-[2-(1,3-thiazol-2-yl)propylamino]ethyl]benzenesulfonamide
CID 104585100
N-[3-[1-[2-(1,3-thiazol-2-yl)propylamino]ethyl]phenyl]acetamide
CID 104584995
N-[1-(furan-2-yl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104585128
N-[1-(4-methyl-3-nitrophenyl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104584889
4-[1-[2-(1,3-thiazol-2-yl)propylamino]ethyl]benzenesulfonamide
CID 104585008
N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104585121
N-[(3-methoxyphenyl)methyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104588789
1-methoxy-N-[2-(1,3-thiazol-2-yl)propyl]butan-2-amine
CID 104585087
N-[1-(1-benzothiophen-2-yl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 102613455

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1S)-1-(2-methoxy-4-pyridinyl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine?
The IUPAC name of (2S)-N-[(1S)-1-(2-methoxy-4-pyridinyl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine (CID 124846660) is (2S)-N-[(1S)-1-(2-methoxy-4-pyridinyl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine.
What is the SMILES notation for (2S)-N-[(1S)-1-(2-methoxy-4-pyridinyl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine?
The canonical SMILES for (2S)-N-[(1S)-1-(2-methoxy-4-pyridinyl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine is COc1cc([C@H](C)NC[C@H](C)c2nccs2)ccn1.
What is the InChIKey of (2S)-N-[(1S)-1-(2-methoxy-4-pyridinyl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine?
The InChIKey is JCYQRLZKOKPNKB-QWRGUYRKSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-10(14-16-6-7-19-14)9-17-11(2)12-4-5-15-13(8-12)18-3/h4-8,10-11,17H,9H2,1-3H3/t10-,11-/m0/s1.
What are the key properties of (2S)-N-[(1S)-1-(2-methoxy-4-pyridinyl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine?
(2S)-N-[(1S)-1-(2-methoxy-4-pyridinyl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine has a molecular weight of 277.39 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1S)-1-(2-methoxy-4-pyridinyl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine is sourced from PubChem (CID 124846660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).