N-methyl-2-methylsulfanyl-1,3-thiazol-5-amine

C5H8N2S2 — CID 134908111

IUPACN-methyl-2-methylsulfanyl-1,3-thiazol-5-amine
SMILESCNc1cnc(SC)s1
InChIInChI=1S/C5H8N2S2/c1-6-4-3-7-5(8-2)9-4/h3,6H,1-2H3
InChIKeyHCMLNGOWTZKWAN-UHFFFAOYSA-N
MW160.27 g/mol
LogP1.91
Rot. Bonds2

About N-methyl-2-methylsulfanyl-1,3-thiazol-5-amine

N-methyl-2-methylsulfanyl-1,3-thiazol-5-amine (PubChem CID 134908111) has the molecular formula C5H8N2S2 and a molecular weight of 160.27 g/mol. Its IUPAC name is N-methyl-2-methylsulfanyl-1,3-thiazol-5-amine.

Molecular Properties

Compound NameN-methyl-2-methylsulfanyl-1,3-thiazol-5-amine
PubChem CID134908111
Molecular FormulaC5H8N2S2
Molecular Weight160.27 g/mol
Exact Mass160.01
IUPAC NameN-methyl-2-methylsulfanyl-1,3-thiazol-5-amine
SMILESCNc1cnc(SC)s1
InChIInChI=1S/C5H8N2S2/c1-6-4-3-7-5(8-2)9-4/h3,6H,1-2H3
InChIKeyHCMLNGOWTZKWAN-UHFFFAOYSA-N
XLogP1.91
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.27
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-2-methylsulfanyl-1,3-thiazol-5-amine?
The IUPAC name of N-methyl-2-methylsulfanyl-1,3-thiazol-5-amine (CID 134908111) is N-methyl-2-methylsulfanyl-1,3-thiazol-5-amine.
What is the SMILES notation for N-methyl-2-methylsulfanyl-1,3-thiazol-5-amine?
The canonical SMILES for N-methyl-2-methylsulfanyl-1,3-thiazol-5-amine is CNc1cnc(SC)s1.
What is the InChIKey of N-methyl-2-methylsulfanyl-1,3-thiazol-5-amine?
The InChIKey is HCMLNGOWTZKWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2S2/c1-6-4-3-7-5(8-2)9-4/h3,6H,1-2H3.
What are the key properties of N-methyl-2-methylsulfanyl-1,3-thiazol-5-amine?
N-methyl-2-methylsulfanyl-1,3-thiazol-5-amine has a molecular weight of 160.27 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-methylsulfanyl-1,3-thiazol-5-amine is sourced from PubChem (CID 134908111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).