2-[6-(ethylcarbamoylamino)-3-pyridinyl]-1,3-thiazole-5-carboxylic acid

C12H12N4O3S — CID 25126134

IUPAC2-[6-(ethylcarbamoylamino)-3-pyridinyl]-1,3-thiazole-5-carboxylic acid
SMILESCCNC(=O)Nc1ccc(-c2ncc(C(=O)O)s2)cn1
InChIInChI=1S/C12H12N4O3S/c1-2-13-12(19)16-9-4-3-7(5-14-9)10-15-6-8(20-10)11(17)18/h3-6H,2H2,1H3,(H,17,18)(H2,13,14,16,19)
InChIKeyXHAPLTBTYBDEGO-UHFFFAOYSA-N
MW292.32 g/mol
LogP2.04
Rot. Bonds4

About 2-[6-(ethylcarbamoylamino)-3-pyridinyl]-1,3-thiazole-5-carboxylic acid

2-[6-(ethylcarbamoylamino)-3-pyridinyl]-1,3-thiazole-5-carboxylic acid (PubChem CID 25126134) has the molecular formula C12H12N4O3S and a molecular weight of 292.32 g/mol. Its IUPAC name is 2-[6-(ethylcarbamoylamino)-3-pyridinyl]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[6-(ethylcarbamoylamino)-3-pyridinyl]-1,3-thiazole-5-carboxylic acid
PubChem CID25126134
Molecular FormulaC12H12N4O3S
Molecular Weight292.32 g/mol
Exact Mass292.06
IUPAC Name2-[6-(ethylcarbamoylamino)-3-pyridinyl]-1,3-thiazole-5-carboxylic acid
SMILESCCNC(=O)Nc1ccc(-c2ncc(C(=O)O)s2)cn1
InChIInChI=1S/C12H12N4O3S/c1-2-13-12(19)16-9-4-3-7(5-14-9)10-15-6-8(20-10)11(17)18/h3-6H,2H2,1H3,(H,17,18)(H2,13,14,16,19)
InChIKeyXHAPLTBTYBDEGO-UHFFFAOYSA-N
XLogP2.04
TPSA104.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(ethylcarbamoylamino)-3-pyridinyl]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[6-(ethylcarbamoylamino)-3-pyridinyl]-1,3-thiazole-5-carboxylic acid (CID 25126134) is 2-[6-(ethylcarbamoylamino)-3-pyridinyl]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[6-(ethylcarbamoylamino)-3-pyridinyl]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[6-(ethylcarbamoylamino)-3-pyridinyl]-1,3-thiazole-5-carboxylic acid is CCNC(=O)Nc1ccc(-c2ncc(C(=O)O)s2)cn1.
What is the InChIKey of 2-[6-(ethylcarbamoylamino)-3-pyridinyl]-1,3-thiazole-5-carboxylic acid?
The InChIKey is XHAPLTBTYBDEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O3S/c1-2-13-12(19)16-9-4-3-7(5-14-9)10-15-6-8(20-10)11(17)18/h3-6H,2H2,1H3,(H,17,18)(H2,13,14,16,19).
What are the key properties of 2-[6-(ethylcarbamoylamino)-3-pyridinyl]-1,3-thiazole-5-carboxylic acid?
2-[6-(ethylcarbamoylamino)-3-pyridinyl]-1,3-thiazole-5-carboxylic acid has a molecular weight of 292.32 g/mol, XLogP of 2.04, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(ethylcarbamoylamino)-3-pyridinyl]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 25126134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).