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

C13H17N3OS — CID 91840477

IUPAC1-(4-methoxy-2-pyridinyl)-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
SMILESCOc1ccnc(CN(C)Cc2nc(C)cs2)c1
InChIInChI=1S/C13H17N3OS/c1-10-9-18-13(15-10)8-16(2)7-11-6-12(17-3)4-5-14-11/h4-6,9H,7-8H2,1-3H3
InChIKeyZLJBPPNHOVQNCT-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.49
Rot. Bonds5

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

1-(4-methoxy-2-pyridinyl)-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine (PubChem CID 91840477) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 1-(4-methoxy-2-pyridinyl)-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-methoxy-2-pyridinyl)-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
PubChem CID91840477
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name1-(4-methoxy-2-pyridinyl)-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
SMILESCOc1ccnc(CN(C)Cc2nc(C)cs2)c1
InChIInChI=1S/C13H17N3OS/c1-10-9-18-13(15-10)8-16(2)7-11-6-12(17-3)4-5-14-11/h4-6,9H,7-8H2,1-3H3
InChIKeyZLJBPPNHOVQNCT-UHFFFAOYSA-N
XLogP2.49
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2-pyridinyl)-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine?
The IUPAC name of 1-(4-methoxy-2-pyridinyl)-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine (CID 91840477) is 1-(4-methoxy-2-pyridinyl)-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(4-methoxy-2-pyridinyl)-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine?
The canonical SMILES for 1-(4-methoxy-2-pyridinyl)-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine is COc1ccnc(CN(C)Cc2nc(C)cs2)c1.
What is the InChIKey of 1-(4-methoxy-2-pyridinyl)-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine?
The InChIKey is ZLJBPPNHOVQNCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-10-9-18-13(15-10)8-16(2)7-11-6-12(17-3)4-5-14-11/h4-6,9H,7-8H2,1-3H3.
What are the key properties of 1-(4-methoxy-2-pyridinyl)-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine?
1-(4-methoxy-2-pyridinyl)-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine has a molecular weight of 263.37 g/mol, XLogP of 2.49, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2-pyridinyl)-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine is sourced from PubChem (CID 91840477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).