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

C8H12N2O2S — CID 164664245

IUPAC2-amino-5-butyl-1,3-thiazole-4-carboxylic acid
SMILESCCCCc1sc(N)nc1C(=O)O
InChIInChI=1S/C8H12N2O2S/c1-2-3-4-5-6(7(11)12)10-8(9)13-5/h2-4H2,1H3,(H2,9,10)(H,11,12)
InChIKeyXCINQNRLUGNGPC-UHFFFAOYSA-N
MW200.26 g/mol
LogP1.77
Rot. Bonds4

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

2-amino-5-butyl-1,3-thiazole-4-carboxylic acid (PubChem CID 164664245) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is 2-amino-5-butyl-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-amino-5-butyl-1,3-thiazole-4-carboxylic acid
PubChem CID164664245
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC Name2-amino-5-butyl-1,3-thiazole-4-carboxylic acid
SMILESCCCCc1sc(N)nc1C(=O)O
InChIInChI=1S/C8H12N2O2S/c1-2-3-4-5-6(7(11)12)10-8(9)13-5/h2-4H2,1H3,(H2,9,10)(H,11,12)
InChIKeyXCINQNRLUGNGPC-UHFFFAOYSA-N
XLogP1.77
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-butyl-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-amino-5-butyl-1,3-thiazole-4-carboxylic acid (CID 164664245) is 2-amino-5-butyl-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-amino-5-butyl-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-amino-5-butyl-1,3-thiazole-4-carboxylic acid is CCCCc1sc(N)nc1C(=O)O.
What is the InChIKey of 2-amino-5-butyl-1,3-thiazole-4-carboxylic acid?
The InChIKey is XCINQNRLUGNGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-2-3-4-5-6(7(11)12)10-8(9)13-5/h2-4H2,1H3,(H2,9,10)(H,11,12).
What are the key properties of 2-amino-5-butyl-1,3-thiazole-4-carboxylic acid?
2-amino-5-butyl-1,3-thiazole-4-carboxylic acid has a molecular weight of 200.26 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-butyl-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 164664245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).