ethane;2-(2-imino-1,3-thiazol-3-yl)acetic acid

C7H12N2O2S — CID 91481035

IUPACethane;2-(2-imino-1,3-thiazol-3-yl)acetic acid
SMILESCC.[H]/N=c1\sccn1CC(=O)O
InChIInChI=1S/C5H6N2O2S.C2H6/c6-5-7(1-2-10-5)3-4(8)9;1-2/h1-2,6H,3H2,(H,8,9);1-2H3/b6-5-;
InChIKeyYSZOYQIAZHIXCO-YSMBQZINSA-N
MW188.25 g/mol
LogP1.14
Rot. Bonds2

About ethane;2-(2-imino-1,3-thiazol-3-yl)acetic acid

ethane;2-(2-imino-1,3-thiazol-3-yl)acetic acid (PubChem CID 91481035) has the molecular formula C7H12N2O2S and a molecular weight of 188.25 g/mol. Its IUPAC name is ethane;2-(2-imino-1,3-thiazol-3-yl)acetic acid.

Molecular Properties

Compound Nameethane;2-(2-imino-1,3-thiazol-3-yl)acetic acid
PubChem CID91481035
Molecular FormulaC7H12N2O2S
Molecular Weight188.25 g/mol
Exact Mass188.06
IUPAC Nameethane;2-(2-imino-1,3-thiazol-3-yl)acetic acid
SMILESCC.[H]/N=c1\sccn1CC(=O)O
InChIInChI=1S/C5H6N2O2S.C2H6/c6-5-7(1-2-10-5)3-4(8)9;1-2/h1-2,6H,3H2,(H,8,9);1-2H3/b6-5-;
InChIKeyYSZOYQIAZHIXCO-YSMBQZINSA-N
XLogP1.14
TPSA66.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;2-(2-imino-1,3-thiazol-3-yl)acetic acid?
The IUPAC name of ethane;2-(2-imino-1,3-thiazol-3-yl)acetic acid (CID 91481035) is ethane;2-(2-imino-1,3-thiazol-3-yl)acetic acid.
What is the SMILES notation for ethane;2-(2-imino-1,3-thiazol-3-yl)acetic acid?
The canonical SMILES for ethane;2-(2-imino-1,3-thiazol-3-yl)acetic acid is CC.[H]/N=c1\sccn1CC(=O)O.
What is the InChIKey of ethane;2-(2-imino-1,3-thiazol-3-yl)acetic acid?
The InChIKey is YSZOYQIAZHIXCO-YSMBQZINSA-N. The full InChI is InChI=1S/C5H6N2O2S.C2H6/c6-5-7(1-2-10-5)3-4(8)9;1-2/h1-2,6H,3H2,(H,8,9);1-2H3/b6-5-;.
What are the key properties of ethane;2-(2-imino-1,3-thiazol-3-yl)acetic acid?
ethane;2-(2-imino-1,3-thiazol-3-yl)acetic acid has a molecular weight of 188.25 g/mol, XLogP of 1.14, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(2-imino-1,3-thiazol-3-yl)acetic acid is sourced from PubChem (CID 91481035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).