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

C14H19N3OS — CID 164630847

IUPAC(2S)-1-(2-methoxy-4-pyridinyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine
SMILESCOc1cc(C[C@H](C)NCc2scnc2C)ccn1
InChIInChI=1S/C14H19N3OS/c1-10(16-8-13-11(2)17-9-19-13)6-12-4-5-15-14(7-12)18-3/h4-5,7,9-10,16H,6,8H2,1-3H3/t10-/m0/s1
InChIKeyFDPONFGTJJNTMJ-JTQLQIEISA-N
MW277.39 g/mol
LogP2.58
Rot. Bonds6

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

(2S)-1-(2-methoxy-4-pyridinyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine (PubChem CID 164630847) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is (2S)-1-(2-methoxy-4-pyridinyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name(2S)-1-(2-methoxy-4-pyridinyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine
PubChem CID164630847
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name(2S)-1-(2-methoxy-4-pyridinyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine
SMILESCOc1cc(C[C@H](C)NCc2scnc2C)ccn1
InChIInChI=1S/C14H19N3OS/c1-10(16-8-13-11(2)17-9-19-13)6-12-4-5-15-14(7-12)18-3/h4-5,7,9-10,16H,6,8H2,1-3H3/t10-/m0/s1
InChIKeyFDPONFGTJJNTMJ-JTQLQIEISA-N
XLogP2.58
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 ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-methoxy-4-pyridinyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine?
The IUPAC name of (2S)-1-(2-methoxy-4-pyridinyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine (CID 164630847) is (2S)-1-(2-methoxy-4-pyridinyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine.
What is the SMILES notation for (2S)-1-(2-methoxy-4-pyridinyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine?
The canonical SMILES for (2S)-1-(2-methoxy-4-pyridinyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine is COc1cc(C[C@H](C)NCc2scnc2C)ccn1.
What is the InChIKey of (2S)-1-(2-methoxy-4-pyridinyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine?
The InChIKey is FDPONFGTJJNTMJ-JTQLQIEISA-N. The full InChI is InChI=1S/C14H19N3OS/c1-10(16-8-13-11(2)17-9-19-13)6-12-4-5-15-14(7-12)18-3/h4-5,7,9-10,16H,6,8H2,1-3H3/t10-/m0/s1.
What are the key properties of (2S)-1-(2-methoxy-4-pyridinyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine?
(2S)-1-(2-methoxy-4-pyridinyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine has a molecular weight of 277.39 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-methoxy-4-pyridinyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine is sourced from PubChem (CID 164630847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).