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

C8H12N2O2S — CID 174954459

IUPAC5-amino-4-butyl-1,3-thiazole-2-carboxylic acid
SMILESCCCCc1nc(C(=O)O)sc1N
InChIInChI=1S/C8H12N2O2S/c1-2-3-4-5-6(9)13-7(10-5)8(11)12/h2-4,9H2,1H3,(H,11,12)
InChIKeyUWHRSVOFXYTIHN-UHFFFAOYSA-N
MW200.26 g/mol
LogP1.77
Rot. Bonds4

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

5-amino-4-butyl-1,3-thiazole-2-carboxylic acid (PubChem CID 174954459) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is 5-amino-4-butyl-1,3-thiazole-2-carboxylic acid.

Molecular Properties

Compound Name5-amino-4-butyl-1,3-thiazole-2-carboxylic acid
PubChem CID174954459
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC Name5-amino-4-butyl-1,3-thiazole-2-carboxylic acid
SMILESCCCCc1nc(C(=O)O)sc1N
InChIInChI=1S/C8H12N2O2S/c1-2-3-4-5-6(9)13-7(10-5)8(11)12/h2-4,9H2,1H3,(H,11,12)
InChIKeyUWHRSVOFXYTIHN-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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Related Compounds

4-butyl-2-phenyl-1,3-thiazol-5-amine
CID 62077156
4-butyl-2-(chloromethyl)-1,3-thiazole-5-carboxylic acid
CID 19885510
5-(methylaminomethyl)-4-propyl-1,3-thiazole-2-carboxylic acid
CID 144905335
2-cyclopropyl-4-pentyl-1,3-thiazol-5-amine
CID 62077188
4-heptyl-2-propan-2-yl-1,3-thiazol-5-amine
CID 63469688
2-amino-4-propyl-1,3-thiazole-5-carboxylic acid
CID 82225421
4-butylthiadiazole-5-carboxylic acid
CID 103691537
2,4-dihexyl-1,3-thiazole-5-carboxylic acid
CID 19885477
4-hexyl-2-methyl-1,3-thiazole-5-carboxylic acid
CID 19885553
2-(4,5-dipentyl-1,3-thiazol-2-yl)acetic acid
CID 70616107
2-butyl-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115422683
2-(azepan-1-ylmethyl)-4-butyl-1,3-thiazole-5-carboxylic acid
CID 82227287

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-butyl-1,3-thiazole-2-carboxylic acid?
The IUPAC name of 5-amino-4-butyl-1,3-thiazole-2-carboxylic acid (CID 174954459) is 5-amino-4-butyl-1,3-thiazole-2-carboxylic acid.
What is the SMILES notation for 5-amino-4-butyl-1,3-thiazole-2-carboxylic acid?
The canonical SMILES for 5-amino-4-butyl-1,3-thiazole-2-carboxylic acid is CCCCc1nc(C(=O)O)sc1N.
What is the InChIKey of 5-amino-4-butyl-1,3-thiazole-2-carboxylic acid?
The InChIKey is UWHRSVOFXYTIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-2-3-4-5-6(9)13-7(10-5)8(11)12/h2-4,9H2,1H3,(H,11,12).
What are the key properties of 5-amino-4-butyl-1,3-thiazole-2-carboxylic acid?
5-amino-4-butyl-1,3-thiazole-2-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 5-amino-4-butyl-1,3-thiazole-2-carboxylic acid is sourced from PubChem (CID 174954459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).