N-methyl-3-(1,3-thiazol-2-ylsulfanylmethyl)pyridin-2-amine

C10H11N3S2 — CID 62468212

IUPACN-methyl-3-(1,3-thiazol-2-ylsulfanylmethyl)pyridin-2-amine
SMILESCNc1ncccc1CSc1nccs1
InChIInChI=1S/C10H11N3S2/c1-11-9-8(3-2-4-12-9)7-15-10-13-5-6-14-10/h2-6H,7H2,1H3,(H,11,12)
InChIKeyWCAVKKMSYXIDMM-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.87
Rot. Bonds4

About N-methyl-3-(1,3-thiazol-2-ylsulfanylmethyl)pyridin-2-amine

N-methyl-3-(1,3-thiazol-2-ylsulfanylmethyl)pyridin-2-amine (PubChem CID 62468212) has the molecular formula C10H11N3S2 and a molecular weight of 237.35 g/mol. Its IUPAC name is N-methyl-3-(1,3-thiazol-2-ylsulfanylmethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-3-(1,3-thiazol-2-ylsulfanylmethyl)pyridin-2-amine
PubChem CID62468212
Molecular FormulaC10H11N3S2
Molecular Weight237.35 g/mol
Exact Mass237.04
IUPAC NameN-methyl-3-(1,3-thiazol-2-ylsulfanylmethyl)pyridin-2-amine
SMILESCNc1ncccc1CSc1nccs1
InChIInChI=1S/C10H11N3S2/c1-11-9-8(3-2-4-12-9)7-15-10-13-5-6-14-10/h2-6H,7H2,1H3,(H,11,12)
InChIKeyWCAVKKMSYXIDMM-UHFFFAOYSA-N
XLogP2.87
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.87
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 N-methyl-3-(1,3-thiazol-2-ylsulfanylmethyl)pyridin-2-amine?
The IUPAC name of N-methyl-3-(1,3-thiazol-2-ylsulfanylmethyl)pyridin-2-amine (CID 62468212) is N-methyl-3-(1,3-thiazol-2-ylsulfanylmethyl)pyridin-2-amine.
What is the SMILES notation for N-methyl-3-(1,3-thiazol-2-ylsulfanylmethyl)pyridin-2-amine?
The canonical SMILES for N-methyl-3-(1,3-thiazol-2-ylsulfanylmethyl)pyridin-2-amine is CNc1ncccc1CSc1nccs1.
What is the InChIKey of N-methyl-3-(1,3-thiazol-2-ylsulfanylmethyl)pyridin-2-amine?
The InChIKey is WCAVKKMSYXIDMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3S2/c1-11-9-8(3-2-4-12-9)7-15-10-13-5-6-14-10/h2-6H,7H2,1H3,(H,11,12).
What are the key properties of N-methyl-3-(1,3-thiazol-2-ylsulfanylmethyl)pyridin-2-amine?
N-methyl-3-(1,3-thiazol-2-ylsulfanylmethyl)pyridin-2-amine has a molecular weight of 237.35 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(1,3-thiazol-2-ylsulfanylmethyl)pyridin-2-amine is sourced from PubChem (CID 62468212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).