1-(4,6-dimethyl-2-pyridinyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)methanamine

C13H17N3S — CID 91833133

IUPAC1-(4,6-dimethyl-2-pyridinyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)methanamine
SMILESCc1cc(C)nc(CN(C)Cc2cscn2)c1
InChIInChI=1S/C13H17N3S/c1-10-4-11(2)15-12(5-10)6-16(3)7-13-8-17-9-14-13/h4-5,8-9H,6-7H2,1-3H3
InChIKeyXVPWWXBOHIQPFU-UHFFFAOYSA-N
MW247.37 g/mol
LogP2.79
Rot. Bonds4

About 1-(4,6-dimethyl-2-pyridinyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)methanamine

1-(4,6-dimethyl-2-pyridinyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)methanamine (PubChem CID 91833133) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is 1-(4,6-dimethyl-2-pyridinyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(4,6-dimethyl-2-pyridinyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)methanamine
PubChem CID91833133
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC Name1-(4,6-dimethyl-2-pyridinyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)methanamine
SMILESCc1cc(C)nc(CN(C)Cc2cscn2)c1
InChIInChI=1S/C13H17N3S/c1-10-4-11(2)15-12(5-10)6-16(3)7-13-8-17-9-14-13/h4-5,8-9H,6-7H2,1-3H3
InChIKeyXVPWWXBOHIQPFU-UHFFFAOYSA-N
XLogP2.79
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethyl-2-pyridinyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)methanamine?
The IUPAC name of 1-(4,6-dimethyl-2-pyridinyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)methanamine (CID 91833133) is 1-(4,6-dimethyl-2-pyridinyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)methanamine.
What is the SMILES notation for 1-(4,6-dimethyl-2-pyridinyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)methanamine?
The canonical SMILES for 1-(4,6-dimethyl-2-pyridinyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)methanamine is Cc1cc(C)nc(CN(C)Cc2cscn2)c1.
What is the InChIKey of 1-(4,6-dimethyl-2-pyridinyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)methanamine?
The InChIKey is XVPWWXBOHIQPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-10-4-11(2)15-12(5-10)6-16(3)7-13-8-17-9-14-13/h4-5,8-9H,6-7H2,1-3H3.
What are the key properties of 1-(4,6-dimethyl-2-pyridinyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)methanamine?
1-(4,6-dimethyl-2-pyridinyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)methanamine has a molecular weight of 247.37 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethyl-2-pyridinyl)-N-methyl-N-(1,3-thiazol-4-ylmethyl)methanamine is sourced from PubChem (CID 91833133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).