(4-imino-1,3-thiazol-2-yl)-dimethyl-(4-methylpyrrolidine-2-carbonyl)azanium

C11H19N4OS+ — CID 123896178

IUPAC(4-imino-1,3-thiazol-2-yl)-dimethyl-(4-methylpyrrolidine-2-carbonyl)azanium
SMILES[H]/N=C1\CSC([N+](C)(C)C(=O)C2CC(C)CN2)=N1
InChIInChI=1S/C11H19N4OS/c1-7-4-8(13-5-7)10(16)15(2,3)11-14-9(12)6-17-11/h7-8,12-13H,4-6H2,1-3H3/q+1/b12-9+
InChIKeyCVSBPSOTRSOTMC-FMIVXFBMSA-N
MW255.37 g/mol
LogP0.67
Rot. Bonds1

About (4-imino-1,3-thiazol-2-yl)-dimethyl-(4-methylpyrrolidine-2-carbonyl)azanium

(4-imino-1,3-thiazol-2-yl)-dimethyl-(4-methylpyrrolidine-2-carbonyl)azanium (PubChem CID 123896178) has the molecular formula C11H19N4OS+ and a molecular weight of 255.37 g/mol. Its IUPAC name is (4-imino-1,3-thiazol-2-yl)-dimethyl-(4-methylpyrrolidine-2-carbonyl)azanium.

Molecular Properties

Compound Name(4-imino-1,3-thiazol-2-yl)-dimethyl-(4-methylpyrrolidine-2-carbonyl)azanium
PubChem CID123896178
Molecular FormulaC11H19N4OS+
Molecular Weight255.37 g/mol
Exact Mass255.13
IUPAC Name(4-imino-1,3-thiazol-2-yl)-dimethyl-(4-methylpyrrolidine-2-carbonyl)azanium
SMILES[H]/N=C1\CSC([N+](C)(C)C(=O)C2CC(C)CN2)=N1
InChIInChI=1S/C11H19N4OS/c1-7-4-8(13-5-7)10(16)15(2,3)11-14-9(12)6-17-11/h7-8,12-13H,4-6H2,1-3H3/q+1/b12-9+
InChIKeyCVSBPSOTRSOTMC-FMIVXFBMSA-N
XLogP0.67
TPSA65.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-imino-1,3-thiazol-2-yl)-dimethyl-(4-methylpyrrolidine-2-carbonyl)azanium?
The IUPAC name of (4-imino-1,3-thiazol-2-yl)-dimethyl-(4-methylpyrrolidine-2-carbonyl)azanium (CID 123896178) is (4-imino-1,3-thiazol-2-yl)-dimethyl-(4-methylpyrrolidine-2-carbonyl)azanium.
What is the SMILES notation for (4-imino-1,3-thiazol-2-yl)-dimethyl-(4-methylpyrrolidine-2-carbonyl)azanium?
The canonical SMILES for (4-imino-1,3-thiazol-2-yl)-dimethyl-(4-methylpyrrolidine-2-carbonyl)azanium is [H]/N=C1\CSC([N+](C)(C)C(=O)C2CC(C)CN2)=N1.
What is the InChIKey of (4-imino-1,3-thiazol-2-yl)-dimethyl-(4-methylpyrrolidine-2-carbonyl)azanium?
The InChIKey is CVSBPSOTRSOTMC-FMIVXFBMSA-N. The full InChI is InChI=1S/C11H19N4OS/c1-7-4-8(13-5-7)10(16)15(2,3)11-14-9(12)6-17-11/h7-8,12-13H,4-6H2,1-3H3/q+1/b12-9+.
What are the key properties of (4-imino-1,3-thiazol-2-yl)-dimethyl-(4-methylpyrrolidine-2-carbonyl)azanium?
(4-imino-1,3-thiazol-2-yl)-dimethyl-(4-methylpyrrolidine-2-carbonyl)azanium has a molecular weight of 255.37 g/mol, XLogP of 0.67, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-imino-1,3-thiazol-2-yl)-dimethyl-(4-methylpyrrolidine-2-carbonyl)azanium is sourced from PubChem (CID 123896178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).