N-methyl-2-[(2-methyl-1,3-thiazol-5-yl)sulfanyl]ethanamine

C7H12N2S2 — CID 58328439

IUPACN-methyl-2-[(2-methyl-1,3-thiazol-5-yl)sulfanyl]ethanamine
SMILESCNCCSc1cnc(C)s1
InChIInChI=1S/C7H12N2S2/c1-6-9-5-7(11-6)10-4-3-8-2/h5,8H,3-4H2,1-2H3
InChIKeyYHNJOIMCXASKBU-UHFFFAOYSA-N
MW188.32 g/mol
LogP1.76
Rot. Bonds4

About N-methyl-2-[(2-methyl-1,3-thiazol-5-yl)sulfanyl]ethanamine

N-methyl-2-[(2-methyl-1,3-thiazol-5-yl)sulfanyl]ethanamine (PubChem CID 58328439) has the molecular formula C7H12N2S2 and a molecular weight of 188.32 g/mol. Its IUPAC name is N-methyl-2-[(2-methyl-1,3-thiazol-5-yl)sulfanyl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[(2-methyl-1,3-thiazol-5-yl)sulfanyl]ethanamine
PubChem CID58328439
Molecular FormulaC7H12N2S2
Molecular Weight188.32 g/mol
Exact Mass188.04
IUPAC NameN-methyl-2-[(2-methyl-1,3-thiazol-5-yl)sulfanyl]ethanamine
SMILESCNCCSc1cnc(C)s1
InChIInChI=1S/C7H12N2S2/c1-6-9-5-7(11-6)10-4-3-8-2/h5,8H,3-4H2,1-2H3
InChIKeyYHNJOIMCXASKBU-UHFFFAOYSA-N
XLogP1.76
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.32
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(2-methyl-1,3-thiazol-5-yl)sulfanyl]ethanamine?
The IUPAC name of N-methyl-2-[(2-methyl-1,3-thiazol-5-yl)sulfanyl]ethanamine (CID 58328439) is N-methyl-2-[(2-methyl-1,3-thiazol-5-yl)sulfanyl]ethanamine.
What is the SMILES notation for N-methyl-2-[(2-methyl-1,3-thiazol-5-yl)sulfanyl]ethanamine?
The canonical SMILES for N-methyl-2-[(2-methyl-1,3-thiazol-5-yl)sulfanyl]ethanamine is CNCCSc1cnc(C)s1.
What is the InChIKey of N-methyl-2-[(2-methyl-1,3-thiazol-5-yl)sulfanyl]ethanamine?
The InChIKey is YHNJOIMCXASKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2S2/c1-6-9-5-7(11-6)10-4-3-8-2/h5,8H,3-4H2,1-2H3.
What are the key properties of N-methyl-2-[(2-methyl-1,3-thiazol-5-yl)sulfanyl]ethanamine?
N-methyl-2-[(2-methyl-1,3-thiazol-5-yl)sulfanyl]ethanamine has a molecular weight of 188.32 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(2-methyl-1,3-thiazol-5-yl)sulfanyl]ethanamine is sourced from PubChem (CID 58328439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).