N-[2-[(2-amino-1,3-thiazol-5-yl)methyl-(thian-4-yl)amino]ethyl]acetamide;hydrochloride

C13H23ClN4OS2 — CID 120905833

IUPACN-[2-[(2-amino-1,3-thiazol-5-yl)methyl-(thian-4-yl)amino]ethyl]acetamide;hydrochloride
SMILESCC(=O)NCCN(Cc1cnc(N)s1)C1CCSCC1.Cl
InChIInChI=1S/C13H22N4OS2.ClH/c1-10(18)15-4-5-17(11-2-6-19-7-3-11)9-12-8-16-13(14)20-12;/h8,11H,2-7,9H2,1H3,(H2,14,16)(H,15,18);1H
InChIKeyQQLQADLIKGPPBD-UHFFFAOYSA-N
MW350.94 g/mol
LogP1.98
Rot. Bonds6

About N-[2-[(2-amino-1,3-thiazol-5-yl)methyl-(thian-4-yl)amino]ethyl]acetamide;hydrochloride

N-[2-[(2-amino-1,3-thiazol-5-yl)methyl-(thian-4-yl)amino]ethyl]acetamide;hydrochloride (PubChem CID 120905833) has the molecular formula C13H23ClN4OS2 and a molecular weight of 350.94 g/mol. Its IUPAC name is N-[2-[(2-amino-1,3-thiazol-5-yl)methyl-(thian-4-yl)amino]ethyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[(2-amino-1,3-thiazol-5-yl)methyl-(thian-4-yl)amino]ethyl]acetamide;hydrochloride
PubChem CID120905833
Molecular FormulaC13H23ClN4OS2
Molecular Weight350.94 g/mol
Exact Mass350.10
IUPAC NameN-[2-[(2-amino-1,3-thiazol-5-yl)methyl-(thian-4-yl)amino]ethyl]acetamide;hydrochloride
SMILESCC(=O)NCCN(Cc1cnc(N)s1)C1CCSCC1.Cl
InChIInChI=1S/C13H22N4OS2.ClH/c1-10(18)15-4-5-17(11-2-6-19-7-3-11)9-12-8-16-13(14)20-12;/h8,11H,2-7,9H2,1H3,(H2,14,16)(H,15,18);1H
InChIKeyQQLQADLIKGPPBD-UHFFFAOYSA-N
XLogP1.98
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.94
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-[(2-amino-1,3-thiazol-5-yl)methyl-(thian-4-yl)amino]ethyl]acetamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-amino-1,3-thiazol-5-yl)methyl-(thian-4-yl)amino]ethyl]acetamide;hydrochloride?
The IUPAC name of N-[2-[(2-amino-1,3-thiazol-5-yl)methyl-(thian-4-yl)amino]ethyl]acetamide;hydrochloride (CID 120905833) is N-[2-[(2-amino-1,3-thiazol-5-yl)methyl-(thian-4-yl)amino]ethyl]acetamide;hydrochloride.
What is the SMILES notation for N-[2-[(2-amino-1,3-thiazol-5-yl)methyl-(thian-4-yl)amino]ethyl]acetamide;hydrochloride?
The canonical SMILES for N-[2-[(2-amino-1,3-thiazol-5-yl)methyl-(thian-4-yl)amino]ethyl]acetamide;hydrochloride is CC(=O)NCCN(Cc1cnc(N)s1)C1CCSCC1.Cl.
What is the InChIKey of N-[2-[(2-amino-1,3-thiazol-5-yl)methyl-(thian-4-yl)amino]ethyl]acetamide;hydrochloride?
The InChIKey is QQLQADLIKGPPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4OS2.ClH/c1-10(18)15-4-5-17(11-2-6-19-7-3-11)9-12-8-16-13(14)20-12;/h8,11H,2-7,9H2,1H3,(H2,14,16)(H,15,18);1H.
What are the key properties of N-[2-[(2-amino-1,3-thiazol-5-yl)methyl-(thian-4-yl)amino]ethyl]acetamide;hydrochloride?
N-[2-[(2-amino-1,3-thiazol-5-yl)methyl-(thian-4-yl)amino]ethyl]acetamide;hydrochloride has a molecular weight of 350.94 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-amino-1,3-thiazol-5-yl)methyl-(thian-4-yl)amino]ethyl]acetamide;hydrochloride is sourced from PubChem (CID 120905833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).