5-amino-2-methylsulfanyl-1,3-thiazole-4-carboxylic acid

C5H6N2O2S2 — CID 67051972

IUPAC5-amino-2-methylsulfanyl-1,3-thiazole-4-carboxylic acid
SMILESCSc1nc(C(=O)O)c(N)s1
InChIInChI=1S/C5H6N2O2S2/c1-10-5-7-2(4(8)9)3(6)11-5/h6H2,1H3,(H,8,9)
InChIKeyIVBDHHCTPHQJEQ-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.15
Rot. Bonds2

About 5-amino-2-methylsulfanyl-1,3-thiazole-4-carboxylic acid

5-amino-2-methylsulfanyl-1,3-thiazole-4-carboxylic acid (PubChem CID 67051972) has the molecular formula C5H6N2O2S2 and a molecular weight of 190.25 g/mol. Its IUPAC name is 5-amino-2-methylsulfanyl-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-amino-2-methylsulfanyl-1,3-thiazole-4-carboxylic acid
PubChem CID67051972
Molecular FormulaC5H6N2O2S2
Molecular Weight190.25 g/mol
Exact Mass189.99
IUPAC Name5-amino-2-methylsulfanyl-1,3-thiazole-4-carboxylic acid
SMILESCSc1nc(C(=O)O)c(N)s1
InChIInChI=1S/C5H6N2O2S2/c1-10-5-7-2(4(8)9)3(6)11-5/h6H2,1H3,(H,8,9)
InChIKeyIVBDHHCTPHQJEQ-UHFFFAOYSA-N
XLogP1.15
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methylsulfanyl-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-amino-2-methylsulfanyl-1,3-thiazole-4-carboxylic acid (CID 67051972) is 5-amino-2-methylsulfanyl-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-amino-2-methylsulfanyl-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-amino-2-methylsulfanyl-1,3-thiazole-4-carboxylic acid is CSc1nc(C(=O)O)c(N)s1.
What is the InChIKey of 5-amino-2-methylsulfanyl-1,3-thiazole-4-carboxylic acid?
The InChIKey is IVBDHHCTPHQJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O2S2/c1-10-5-7-2(4(8)9)3(6)11-5/h6H2,1H3,(H,8,9).
What are the key properties of 5-amino-2-methylsulfanyl-1,3-thiazole-4-carboxylic acid?
5-amino-2-methylsulfanyl-1,3-thiazole-4-carboxylic acid has a molecular weight of 190.25 g/mol, XLogP of 1.15, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methylsulfanyl-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 67051972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).