[4,6-dimethyl-2-(1,3-thiazol-2-ylsulfanyl)-3-pyridinyl]methanamine

C11H13N3S2 — CID 61219519

IUPAC[4,6-dimethyl-2-(1,3-thiazol-2-ylsulfanyl)-3-pyridinyl]methanamine
SMILESCc1cc(C)c(CN)c(Sc2nccs2)n1
InChIInChI=1S/C11H13N3S2/c1-7-5-8(2)14-10(9(7)6-12)16-11-13-3-4-15-11/h3-5H,6,12H2,1-2H3
InChIKeyKTEPSXAYRQJYNX-UHFFFAOYSA-N
MW251.38 g/mol
LogP2.76
Rot. Bonds3

About [4,6-dimethyl-2-(1,3-thiazol-2-ylsulfanyl)-3-pyridinyl]methanamine

[4,6-dimethyl-2-(1,3-thiazol-2-ylsulfanyl)-3-pyridinyl]methanamine (PubChem CID 61219519) has the molecular formula C11H13N3S2 and a molecular weight of 251.38 g/mol. Its IUPAC name is [4,6-dimethyl-2-(1,3-thiazol-2-ylsulfanyl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[4,6-dimethyl-2-(1,3-thiazol-2-ylsulfanyl)-3-pyridinyl]methanamine
PubChem CID61219519
Molecular FormulaC11H13N3S2
Molecular Weight251.38 g/mol
Exact Mass251.06
IUPAC Name[4,6-dimethyl-2-(1,3-thiazol-2-ylsulfanyl)-3-pyridinyl]methanamine
SMILESCc1cc(C)c(CN)c(Sc2nccs2)n1
InChIInChI=1S/C11H13N3S2/c1-7-5-8(2)14-10(9(7)6-12)16-11-13-3-4-15-11/h3-5H,6,12H2,1-2H3
InChIKeyKTEPSXAYRQJYNX-UHFFFAOYSA-N
XLogP2.76
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4,6-dimethyl-2-(1,3-thiazol-2-ylsulfanyl)-3-pyridinyl]methanamine?
The IUPAC name of [4,6-dimethyl-2-(1,3-thiazol-2-ylsulfanyl)-3-pyridinyl]methanamine (CID 61219519) is [4,6-dimethyl-2-(1,3-thiazol-2-ylsulfanyl)-3-pyridinyl]methanamine.
What is the SMILES notation for [4,6-dimethyl-2-(1,3-thiazol-2-ylsulfanyl)-3-pyridinyl]methanamine?
The canonical SMILES for [4,6-dimethyl-2-(1,3-thiazol-2-ylsulfanyl)-3-pyridinyl]methanamine is Cc1cc(C)c(CN)c(Sc2nccs2)n1.
What is the InChIKey of [4,6-dimethyl-2-(1,3-thiazol-2-ylsulfanyl)-3-pyridinyl]methanamine?
The InChIKey is KTEPSXAYRQJYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3S2/c1-7-5-8(2)14-10(9(7)6-12)16-11-13-3-4-15-11/h3-5H,6,12H2,1-2H3.
What are the key properties of [4,6-dimethyl-2-(1,3-thiazol-2-ylsulfanyl)-3-pyridinyl]methanamine?
[4,6-dimethyl-2-(1,3-thiazol-2-ylsulfanyl)-3-pyridinyl]methanamine has a molecular weight of 251.38 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4,6-dimethyl-2-(1,3-thiazol-2-ylsulfanyl)-3-pyridinyl]methanamine is sourced from PubChem (CID 61219519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).