2-methyl-N-methylsulfanyl-1-(5-methyl-1,3-thiazol-2-yl)propan-1-amine

C9H16N2S2 — CID 146476275

IUPAC2-methyl-N-methylsulfanyl-1-(5-methyl-1,3-thiazol-2-yl)propan-1-amine
SMILESCSNC(c1ncc(C)s1)C(C)C
InChIInChI=1S/C9H16N2S2/c1-6(2)8(11-12-4)9-10-5-7(3)13-9/h5-6,8,11H,1-4H3
InChIKeyFMJDDIKBUFHXLE-UHFFFAOYSA-N
MW216.37 g/mol
LogP3.02
Rot. Bonds4

About 2-methyl-N-methylsulfanyl-1-(5-methyl-1,3-thiazol-2-yl)propan-1-amine

2-methyl-N-methylsulfanyl-1-(5-methyl-1,3-thiazol-2-yl)propan-1-amine (PubChem CID 146476275) has the molecular formula C9H16N2S2 and a molecular weight of 216.37 g/mol. Its IUPAC name is 2-methyl-N-methylsulfanyl-1-(5-methyl-1,3-thiazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-methylsulfanyl-1-(5-methyl-1,3-thiazol-2-yl)propan-1-amine
PubChem CID146476275
Molecular FormulaC9H16N2S2
Molecular Weight216.37 g/mol
Exact Mass216.08
IUPAC Name2-methyl-N-methylsulfanyl-1-(5-methyl-1,3-thiazol-2-yl)propan-1-amine
SMILESCSNC(c1ncc(C)s1)C(C)C
InChIInChI=1S/C9H16N2S2/c1-6(2)8(11-12-4)9-10-5-7(3)13-9/h5-6,8,11H,1-4H3
InChIKeyFMJDDIKBUFHXLE-UHFFFAOYSA-N
XLogP3.02
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-methylsulfanyl-1-(5-methyl-1,3-thiazol-2-yl)propan-1-amine?
The IUPAC name of 2-methyl-N-methylsulfanyl-1-(5-methyl-1,3-thiazol-2-yl)propan-1-amine (CID 146476275) is 2-methyl-N-methylsulfanyl-1-(5-methyl-1,3-thiazol-2-yl)propan-1-amine.
What is the SMILES notation for 2-methyl-N-methylsulfanyl-1-(5-methyl-1,3-thiazol-2-yl)propan-1-amine?
The canonical SMILES for 2-methyl-N-methylsulfanyl-1-(5-methyl-1,3-thiazol-2-yl)propan-1-amine is CSNC(c1ncc(C)s1)C(C)C.
What is the InChIKey of 2-methyl-N-methylsulfanyl-1-(5-methyl-1,3-thiazol-2-yl)propan-1-amine?
The InChIKey is FMJDDIKBUFHXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2S2/c1-6(2)8(11-12-4)9-10-5-7(3)13-9/h5-6,8,11H,1-4H3.
What are the key properties of 2-methyl-N-methylsulfanyl-1-(5-methyl-1,3-thiazol-2-yl)propan-1-amine?
2-methyl-N-methylsulfanyl-1-(5-methyl-1,3-thiazol-2-yl)propan-1-amine has a molecular weight of 216.37 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-methylsulfanyl-1-(5-methyl-1,3-thiazol-2-yl)propan-1-amine is sourced from PubChem (CID 146476275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).