2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxylic acid

C11H9N3O3S — CID 42281661

IUPAC2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxylic acid
SMILESO=C(Nc1ccccc1)Nc1nc(C(=O)O)cs1
InChIInChI=1S/C11H9N3O3S/c15-9(16)8-6-18-11(13-8)14-10(17)12-7-4-2-1-3-5-7/h1-6H,(H,15,16)(H2,12,13,14,17)
InChIKeySDOIRUGARGJWPQ-UHFFFAOYSA-N
MW263.28 g/mol
LogP2.49
Rot. Bonds3

About 2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxylic acid

2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxylic acid (PubChem CID 42281661) has the molecular formula C11H9N3O3S and a molecular weight of 263.28 g/mol. Its IUPAC name is 2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxylic acid
PubChem CID42281661
Molecular FormulaC11H9N3O3S
Molecular Weight263.28 g/mol
Exact Mass263.04
IUPAC Name2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxylic acid
SMILESO=C(Nc1ccccc1)Nc1nc(C(=O)O)cs1
InChIInChI=1S/C11H9N3O3S/c15-9(16)8-6-18-11(13-8)14-10(17)12-7-4-2-1-3-5-7/h1-6H,(H,15,16)(H2,12,13,14,17)
InChIKeySDOIRUGARGJWPQ-UHFFFAOYSA-N
XLogP2.49
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.28
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxylic acid (CID 42281661) is 2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxylic acid is O=C(Nc1ccccc1)Nc1nc(C(=O)O)cs1.
What is the InChIKey of 2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxylic acid?
The InChIKey is SDOIRUGARGJWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O3S/c15-9(16)8-6-18-11(13-8)14-10(17)12-7-4-2-1-3-5-7/h1-6H,(H,15,16)(H2,12,13,14,17).
What are the key properties of 2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxylic acid?
2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxylic acid has a molecular weight of 263.28 g/mol, XLogP of 2.49, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(phenylcarbamoylamino)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 42281661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).