2-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methylidene]propane-2-sulfinamide

C9H14N2OS2 — CID 138705555

IUPAC2-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methylidene]propane-2-sulfinamide
SMILESCc1cnc(C=NS(=O)C(C)(C)C)s1
InChIInChI=1S/C9H14N2OS2/c1-7-5-10-8(13-7)6-11-14(12)9(2,3)4/h5-6H,1-4H3
InChIKeyJTWTYOLVAFIYEU-UHFFFAOYSA-N
MW230.36 g/mol
LogP2.33
Rot. Bonds2

About 2-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methylidene]propane-2-sulfinamide

2-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methylidene]propane-2-sulfinamide (PubChem CID 138705555) has the molecular formula C9H14N2OS2 and a molecular weight of 230.36 g/mol. Its IUPAC name is 2-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methylidene]propane-2-sulfinamide.

Molecular Properties

Compound Name2-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methylidene]propane-2-sulfinamide
PubChem CID138705555
Molecular FormulaC9H14N2OS2
Molecular Weight230.36 g/mol
Exact Mass230.05
IUPAC Name2-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methylidene]propane-2-sulfinamide
SMILESCc1cnc(C=NS(=O)C(C)(C)C)s1
InChIInChI=1S/C9H14N2OS2/c1-7-5-10-8(13-7)6-11-14(12)9(2,3)4/h5-6H,1-4H3
InChIKeyJTWTYOLVAFIYEU-UHFFFAOYSA-N
XLogP2.33
TPSA42.32 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methylidene]propane-2-sulfinamide?
The IUPAC name of 2-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methylidene]propane-2-sulfinamide (CID 138705555) is 2-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methylidene]propane-2-sulfinamide.
What is the SMILES notation for 2-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methylidene]propane-2-sulfinamide?
The canonical SMILES for 2-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methylidene]propane-2-sulfinamide is Cc1cnc(C=NS(=O)C(C)(C)C)s1.
What is the InChIKey of 2-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methylidene]propane-2-sulfinamide?
The InChIKey is JTWTYOLVAFIYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS2/c1-7-5-10-8(13-7)6-11-14(12)9(2,3)4/h5-6H,1-4H3.
What are the key properties of 2-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methylidene]propane-2-sulfinamide?
2-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methylidene]propane-2-sulfinamide has a molecular weight of 230.36 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methylidene]propane-2-sulfinamide is sourced from PubChem (CID 138705555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).