4-amino-3-(cyclohexylcarbamoyl)-1,2-thiazole-5-carboxylic acid

C11H15N3O3S — CID 860195

IUPAC4-amino-3-(cyclohexylcarbamoyl)-1,2-thiazole-5-carboxylic acid
SMILESNc1c(C(=O)NC2CCCCC2)nsc1C(=O)O
InChIInChI=1S/C11H15N3O3S/c12-7-8(14-18-9(7)11(16)17)10(15)13-6-4-2-1-3-5-6/h6H,1-5,12H2,(H,13,15)(H,16,17)
InChIKeyYRNSAQYTHAZUDK-UHFFFAOYSA-N
MW269.33 g/mol
LogP1.49
Rot. Bonds3

About 4-amino-3-(cyclohexylcarbamoyl)-1,2-thiazole-5-carboxylic acid

4-amino-3-(cyclohexylcarbamoyl)-1,2-thiazole-5-carboxylic acid (PubChem CID 860195) has the molecular formula C11H15N3O3S and a molecular weight of 269.33 g/mol. Its IUPAC name is 4-amino-3-(cyclohexylcarbamoyl)-1,2-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-amino-3-(cyclohexylcarbamoyl)-1,2-thiazole-5-carboxylic acid
PubChem CID860195
Molecular FormulaC11H15N3O3S
Molecular Weight269.33 g/mol
Exact Mass269.08
IUPAC Name4-amino-3-(cyclohexylcarbamoyl)-1,2-thiazole-5-carboxylic acid
SMILESNc1c(C(=O)NC2CCCCC2)nsc1C(=O)O
InChIInChI=1S/C11H15N3O3S/c12-7-8(14-18-9(7)11(16)17)10(15)13-6-4-2-1-3-5-6/h6H,1-5,12H2,(H,13,15)(H,16,17)
InChIKeyYRNSAQYTHAZUDK-UHFFFAOYSA-N
XLogP1.49
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(cyclohexylcarbamoyl)-1,2-thiazole-5-carboxylic acid?
The IUPAC name of 4-amino-3-(cyclohexylcarbamoyl)-1,2-thiazole-5-carboxylic acid (CID 860195) is 4-amino-3-(cyclohexylcarbamoyl)-1,2-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-amino-3-(cyclohexylcarbamoyl)-1,2-thiazole-5-carboxylic acid?
The canonical SMILES for 4-amino-3-(cyclohexylcarbamoyl)-1,2-thiazole-5-carboxylic acid is Nc1c(C(=O)NC2CCCCC2)nsc1C(=O)O.
What is the InChIKey of 4-amino-3-(cyclohexylcarbamoyl)-1,2-thiazole-5-carboxylic acid?
The InChIKey is YRNSAQYTHAZUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S/c12-7-8(14-18-9(7)11(16)17)10(15)13-6-4-2-1-3-5-6/h6H,1-5,12H2,(H,13,15)(H,16,17).
What are the key properties of 4-amino-3-(cyclohexylcarbamoyl)-1,2-thiazole-5-carboxylic acid?
4-amino-3-(cyclohexylcarbamoyl)-1,2-thiazole-5-carboxylic acid has a molecular weight of 269.33 g/mol, XLogP of 1.49, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(cyclohexylcarbamoyl)-1,2-thiazole-5-carboxylic acid is sourced from PubChem (CID 860195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).