[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-pentylazanium

C11H20N3OS+ — CID 7356447

IUPAC[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-pentylazanium
SMILESCCCCC[NH2+]CC(=O)Nc1nc(C)cs1
InChIInChI=1S/C11H19N3OS/c1-3-4-5-6-12-7-10(15)14-11-13-9(2)8-16-11/h8,12H,3-7H2,1-2H3,(H,13,14,15)/p+1
InChIKeyOBPHDSPWZMLEMB-UHFFFAOYSA-O
MW242.37 g/mol
LogP1.14
Rot. Bonds7

About [2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-pentylazanium

[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-pentylazanium (PubChem CID 7356447) has the molecular formula C11H20N3OS+ and a molecular weight of 242.37 g/mol. Its IUPAC name is [2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-pentylazanium.

Molecular Properties

Compound Name[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-pentylazanium
PubChem CID7356447
Molecular FormulaC11H20N3OS+
Molecular Weight242.37 g/mol
Exact Mass242.13
IUPAC Name[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-pentylazanium
SMILESCCCCC[NH2+]CC(=O)Nc1nc(C)cs1
InChIInChI=1S/C11H19N3OS/c1-3-4-5-6-12-7-10(15)14-11-13-9(2)8-16-11/h8,12H,3-7H2,1-2H3,(H,13,14,15)/p+1
InChIKeyOBPHDSPWZMLEMB-UHFFFAOYSA-O
XLogP1.14
TPSA58.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-pentylazanium?
The IUPAC name of [2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-pentylazanium (CID 7356447) is [2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-pentylazanium.
What is the SMILES notation for [2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-pentylazanium?
The canonical SMILES for [2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-pentylazanium is CCCCC[NH2+]CC(=O)Nc1nc(C)cs1.
What is the InChIKey of [2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-pentylazanium?
The InChIKey is OBPHDSPWZMLEMB-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H19N3OS/c1-3-4-5-6-12-7-10(15)14-11-13-9(2)8-16-11/h8,12H,3-7H2,1-2H3,(H,13,14,15)/p+1.
What are the key properties of [2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-pentylazanium?
[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-pentylazanium has a molecular weight of 242.37 g/mol, XLogP of 1.14, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-pentylazanium is sourced from PubChem (CID 7356447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).