2-amino-2-methyl-3H-1,3-thiazole-4-carboxylic acid

C5H8N2O2S — CID 68534142

IUPAC2-amino-2-methyl-3H-1,3-thiazole-4-carboxylic acid
SMILESCC1(N)NC(C(=O)O)=CS1
InChIInChI=1S/C5H8N2O2S/c1-5(6)7-3(2-10-5)4(8)9/h2,7H,6H2,1H3,(H,8,9)
InChIKeySZMHDWMUKANTCD-UHFFFAOYSA-N
MW160.20 g/mol
LogP-0.12
Rot. Bonds1

About 2-amino-2-methyl-3H-1,3-thiazole-4-carboxylic acid

2-amino-2-methyl-3H-1,3-thiazole-4-carboxylic acid (PubChem CID 68534142) has the molecular formula C5H8N2O2S and a molecular weight of 160.20 g/mol. Its IUPAC name is 2-amino-2-methyl-3H-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-amino-2-methyl-3H-1,3-thiazole-4-carboxylic acid
PubChem CID68534142
Molecular FormulaC5H8N2O2S
Molecular Weight160.20 g/mol
Exact Mass160.03
IUPAC Name2-amino-2-methyl-3H-1,3-thiazole-4-carboxylic acid
SMILESCC1(N)NC(C(=O)O)=CS1
InChIInChI=1S/C5H8N2O2S/c1-5(6)7-3(2-10-5)4(8)9/h2,7H,6H2,1H3,(H,8,9)
InChIKeySZMHDWMUKANTCD-UHFFFAOYSA-N
XLogP-0.12
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.20
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-3H-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-amino-2-methyl-3H-1,3-thiazole-4-carboxylic acid (CID 68534142) is 2-amino-2-methyl-3H-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-amino-2-methyl-3H-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-amino-2-methyl-3H-1,3-thiazole-4-carboxylic acid is CC1(N)NC(C(=O)O)=CS1.
What is the InChIKey of 2-amino-2-methyl-3H-1,3-thiazole-4-carboxylic acid?
The InChIKey is SZMHDWMUKANTCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O2S/c1-5(6)7-3(2-10-5)4(8)9/h2,7H,6H2,1H3,(H,8,9).
What are the key properties of 2-amino-2-methyl-3H-1,3-thiazole-4-carboxylic acid?
2-amino-2-methyl-3H-1,3-thiazole-4-carboxylic acid has a molecular weight of 160.20 g/mol, XLogP of -0.12, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-3H-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 68534142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).