N-ethyl-2-(2-imino-1,3-thiazol-3-yl)acetamide;hydrochloride

C7H12ClN3OS — CID 130609000

IUPACN-ethyl-2-(2-imino-1,3-thiazol-3-yl)acetamide;hydrochloride
SMILESCl.[H]/N=c1\sccn1CC(=O)NCC
InChIInChI=1S/C7H11N3OS.ClH/c1-2-9-6(11)5-10-3-4-12-7(10)8;/h3-4,8H,2,5H2,1H3,(H,9,11);1H/b8-7-;
InChIKeyJFAORZKJBRVQLL-CFYXSCKTSA-N
MW221.71 g/mol
LogP0.59
Rot. Bonds3

About N-ethyl-2-(2-imino-1,3-thiazol-3-yl)acetamide;hydrochloride

N-ethyl-2-(2-imino-1,3-thiazol-3-yl)acetamide;hydrochloride (PubChem CID 130609000) has the molecular formula C7H12ClN3OS and a molecular weight of 221.71 g/mol. Its IUPAC name is N-ethyl-2-(2-imino-1,3-thiazol-3-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-ethyl-2-(2-imino-1,3-thiazol-3-yl)acetamide;hydrochloride
PubChem CID130609000
Molecular FormulaC7H12ClN3OS
Molecular Weight221.71 g/mol
Exact Mass221.04
IUPAC NameN-ethyl-2-(2-imino-1,3-thiazol-3-yl)acetamide;hydrochloride
SMILESCl.[H]/N=c1\sccn1CC(=O)NCC
InChIInChI=1S/C7H11N3OS.ClH/c1-2-9-6(11)5-10-3-4-12-7(10)8;/h3-4,8H,2,5H2,1H3,(H,9,11);1H/b8-7-;
InChIKeyJFAORZKJBRVQLL-CFYXSCKTSA-N
XLogP0.59
TPSA57.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.71
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-imino-1,3-thiazol-3-yl)acetamide;hydrochloride?
The IUPAC name of N-ethyl-2-(2-imino-1,3-thiazol-3-yl)acetamide;hydrochloride (CID 130609000) is N-ethyl-2-(2-imino-1,3-thiazol-3-yl)acetamide;hydrochloride.
What is the SMILES notation for N-ethyl-2-(2-imino-1,3-thiazol-3-yl)acetamide;hydrochloride?
The canonical SMILES for N-ethyl-2-(2-imino-1,3-thiazol-3-yl)acetamide;hydrochloride is Cl.[H]/N=c1\sccn1CC(=O)NCC.
What is the InChIKey of N-ethyl-2-(2-imino-1,3-thiazol-3-yl)acetamide;hydrochloride?
The InChIKey is JFAORZKJBRVQLL-CFYXSCKTSA-N. The full InChI is InChI=1S/C7H11N3OS.ClH/c1-2-9-6(11)5-10-3-4-12-7(10)8;/h3-4,8H,2,5H2,1H3,(H,9,11);1H/b8-7-;.
What are the key properties of N-ethyl-2-(2-imino-1,3-thiazol-3-yl)acetamide;hydrochloride?
N-ethyl-2-(2-imino-1,3-thiazol-3-yl)acetamide;hydrochloride has a molecular weight of 221.71 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-imino-1,3-thiazol-3-yl)acetamide;hydrochloride is sourced from PubChem (CID 130609000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).