3-(1,3,4-thiadiazol-2-ylcarbamoylamino)pyridine-2-carboxylic acid

C9H7N5O3S — CID 113447864

IUPAC3-(1,3,4-thiadiazol-2-ylcarbamoylamino)pyridine-2-carboxylic acid
SMILESO=C(Nc1nncs1)Nc1cccnc1C(=O)O
InChIInChI=1S/C9H7N5O3S/c15-7(16)6-5(2-1-3-10-6)12-8(17)13-9-14-11-4-18-9/h1-4H,(H,15,16)(H2,12,13,14,17)
InChIKeySMTXSXNYJOUFSM-UHFFFAOYSA-N
MW265.25 g/mol
LogP1.28
Rot. Bonds3

About 3-(1,3,4-thiadiazol-2-ylcarbamoylamino)pyridine-2-carboxylic acid

3-(1,3,4-thiadiazol-2-ylcarbamoylamino)pyridine-2-carboxylic acid (PubChem CID 113447864) has the molecular formula C9H7N5O3S and a molecular weight of 265.25 g/mol. Its IUPAC name is 3-(1,3,4-thiadiazol-2-ylcarbamoylamino)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-(1,3,4-thiadiazol-2-ylcarbamoylamino)pyridine-2-carboxylic acid
PubChem CID113447864
Molecular FormulaC9H7N5O3S
Molecular Weight265.25 g/mol
Exact Mass265.03
IUPAC Name3-(1,3,4-thiadiazol-2-ylcarbamoylamino)pyridine-2-carboxylic acid
SMILESO=C(Nc1nncs1)Nc1cccnc1C(=O)O
InChIInChI=1S/C9H7N5O3S/c15-7(16)6-5(2-1-3-10-6)12-8(17)13-9-14-11-4-18-9/h1-4H,(H,15,16)(H2,12,13,14,17)
InChIKeySMTXSXNYJOUFSM-UHFFFAOYSA-N
XLogP1.28
TPSA117.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.25
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-(1,3-thiazol-2-ylcarbamoylamino)pyridine-2-carboxylic acid
CID 113447865
2-methyl-3-(1,3,4-thiadiazol-2-ylcarbamoylamino)benzoic acid
CID 62948243
3-(thiophen-3-ylcarbamoylamino)pyridine-2-carboxylic acid
CID 113447923
1-naphthalen-1-yl-3-(1,3,4-thiadiazol-2-yl)urea
CID 770809
3-(pyridin-3-ylcarbamoylamino)pyridine-2-carboxylic acid
CID 104743150
3-[(6-methyl-3-pyridinyl)carbamoylamino]pyridine-2-carboxylic acid
CID 104743784
3-[(2,4-difluorophenyl)carbamoylamino]pyridine-2-carboxylic acid
CID 104740538
3-[(3-fluoro-2-methylphenyl)carbamoylamino]pyridine-2-carboxylic acid
CID 104743485
3-(2,3-dimethylbutanoylamino)pyridine-2-carboxylic acid
CID 104740180
3-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]pyridine-2-carboxylic acid
CID 106382731
4-chloro-3-(1,3,4-thiadiazol-2-ylcarbamoylamino)benzoic acid
CID 61193058
3-[(3,4-dimethylphenyl)carbamoylamino]pyridine-2-carboxylic acid
CID 104743195

Frequently Asked Questions

What is the IUPAC name of 3-(1,3,4-thiadiazol-2-ylcarbamoylamino)pyridine-2-carboxylic acid?
The IUPAC name of 3-(1,3,4-thiadiazol-2-ylcarbamoylamino)pyridine-2-carboxylic acid (CID 113447864) is 3-(1,3,4-thiadiazol-2-ylcarbamoylamino)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-(1,3,4-thiadiazol-2-ylcarbamoylamino)pyridine-2-carboxylic acid?
The canonical SMILES for 3-(1,3,4-thiadiazol-2-ylcarbamoylamino)pyridine-2-carboxylic acid is O=C(Nc1nncs1)Nc1cccnc1C(=O)O.
What is the InChIKey of 3-(1,3,4-thiadiazol-2-ylcarbamoylamino)pyridine-2-carboxylic acid?
The InChIKey is SMTXSXNYJOUFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N5O3S/c15-7(16)6-5(2-1-3-10-6)12-8(17)13-9-14-11-4-18-9/h1-4H,(H,15,16)(H2,12,13,14,17).
What are the key properties of 3-(1,3,4-thiadiazol-2-ylcarbamoylamino)pyridine-2-carboxylic acid?
3-(1,3,4-thiadiazol-2-ylcarbamoylamino)pyridine-2-carboxylic acid has a molecular weight of 265.25 g/mol, XLogP of 1.28, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3,4-thiadiazol-2-ylcarbamoylamino)pyridine-2-carboxylic acid is sourced from PubChem (CID 113447864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).