2-methyl-3-sulfanyl-N-(1,3-thiazol-2-yl)propanamide

C7H10N2OS2 — CID 72947092

IUPAC2-methyl-3-sulfanyl-N-(1,3-thiazol-2-yl)propanamide
SMILESCC(CS)C(=O)Nc1nccs1
InChIInChI=1S/C7H10N2OS2/c1-5(4-11)6(10)9-7-8-2-3-12-7/h2-3,5,11H,4H2,1H3,(H,8,9,10)
InChIKeyJCERIAAHLBLGQC-UHFFFAOYSA-N
MW202.30 g/mol
LogP1.65
Rot. Bonds3

About 2-methyl-3-sulfanyl-N-(1,3-thiazol-2-yl)propanamide

2-methyl-3-sulfanyl-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 72947092) has the molecular formula C7H10N2OS2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 2-methyl-3-sulfanyl-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-methyl-3-sulfanyl-N-(1,3-thiazol-2-yl)propanamide
PubChem CID72947092
Molecular FormulaC7H10N2OS2
Molecular Weight202.30 g/mol
Exact Mass202.02
IUPAC Name2-methyl-3-sulfanyl-N-(1,3-thiazol-2-yl)propanamide
SMILESCC(CS)C(=O)Nc1nccs1
InChIInChI=1S/C7H10N2OS2/c1-5(4-11)6(10)9-7-8-2-3-12-7/h2-3,5,11H,4H2,1H3,(H,8,9,10)
InChIKeyJCERIAAHLBLGQC-UHFFFAOYSA-N
XLogP1.65
TPSA41.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-sulfanyl-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 2-methyl-3-sulfanyl-N-(1,3-thiazol-2-yl)propanamide (CID 72947092) is 2-methyl-3-sulfanyl-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 2-methyl-3-sulfanyl-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 2-methyl-3-sulfanyl-N-(1,3-thiazol-2-yl)propanamide is CC(CS)C(=O)Nc1nccs1.
What is the InChIKey of 2-methyl-3-sulfanyl-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is JCERIAAHLBLGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2OS2/c1-5(4-11)6(10)9-7-8-2-3-12-7/h2-3,5,11H,4H2,1H3,(H,8,9,10).
What are the key properties of 2-methyl-3-sulfanyl-N-(1,3-thiazol-2-yl)propanamide?
2-methyl-3-sulfanyl-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 202.30 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-sulfanyl-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 72947092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).