2-[(2-hydroxycyclohexyl)-methylcarbamoyl]-1,3-thiazole-4-carboxylic acid

C12H16N2O4S — CID 102634005

IUPAC2-[(2-hydroxycyclohexyl)-methylcarbamoyl]-1,3-thiazole-4-carboxylic acid
SMILESCN(C(=O)c1nc(C(=O)O)cs1)C1CCCCC1O
InChIInChI=1S/C12H16N2O4S/c1-14(8-4-2-3-5-9(8)15)11(16)10-13-7(6-19-10)12(17)18/h6,8-9,15H,2-5H2,1H3,(H,17,18)
InChIKeyNGUBIXDXTOFSIG-UHFFFAOYSA-N
MW284.34 g/mol
LogP1.22
Rot. Bonds3

About 2-[(2-hydroxycyclohexyl)-methylcarbamoyl]-1,3-thiazole-4-carboxylic acid

2-[(2-hydroxycyclohexyl)-methylcarbamoyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 102634005) has the molecular formula C12H16N2O4S and a molecular weight of 284.34 g/mol. Its IUPAC name is 2-[(2-hydroxycyclohexyl)-methylcarbamoyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[(2-hydroxycyclohexyl)-methylcarbamoyl]-1,3-thiazole-4-carboxylic acid
PubChem CID102634005
Molecular FormulaC12H16N2O4S
Molecular Weight284.34 g/mol
Exact Mass284.08
IUPAC Name2-[(2-hydroxycyclohexyl)-methylcarbamoyl]-1,3-thiazole-4-carboxylic acid
SMILESCN(C(=O)c1nc(C(=O)O)cs1)C1CCCCC1O
InChIInChI=1S/C12H16N2O4S/c1-14(8-4-2-3-5-9(8)15)11(16)10-13-7(6-19-10)12(17)18/h6,8-9,15H,2-5H2,1H3,(H,17,18)
InChIKeyNGUBIXDXTOFSIG-UHFFFAOYSA-N
XLogP1.22
TPSA90.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxycyclohexyl)-methylcarbamoyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[(2-hydroxycyclohexyl)-methylcarbamoyl]-1,3-thiazole-4-carboxylic acid (CID 102634005) is 2-[(2-hydroxycyclohexyl)-methylcarbamoyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[(2-hydroxycyclohexyl)-methylcarbamoyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[(2-hydroxycyclohexyl)-methylcarbamoyl]-1,3-thiazole-4-carboxylic acid is CN(C(=O)c1nc(C(=O)O)cs1)C1CCCCC1O.
What is the InChIKey of 2-[(2-hydroxycyclohexyl)-methylcarbamoyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is NGUBIXDXTOFSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4S/c1-14(8-4-2-3-5-9(8)15)11(16)10-13-7(6-19-10)12(17)18/h6,8-9,15H,2-5H2,1H3,(H,17,18).
What are the key properties of 2-[(2-hydroxycyclohexyl)-methylcarbamoyl]-1,3-thiazole-4-carboxylic acid?
2-[(2-hydroxycyclohexyl)-methylcarbamoyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 284.34 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxycyclohexyl)-methylcarbamoyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 102634005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).