2-[4-[(4-propylthiadiazole-5-carbonyl)amino]pyrazol-1-yl]acetic acid

C11H13N5O3S — CID 65205791

IUPAC2-[4-[(4-propylthiadiazole-5-carbonyl)amino]pyrazol-1-yl]acetic acid
SMILESCCCc1nnsc1C(=O)Nc1cnn(CC(=O)O)c1
InChIInChI=1S/C11H13N5O3S/c1-2-3-8-10(20-15-14-8)11(19)13-7-4-12-16(5-7)6-9(17)18/h4-5H,2-3,6H2,1H3,(H,13,19)(H,17,18)
InChIKeyXMITWZCSVYIGMJ-UHFFFAOYSA-N
MW295.32 g/mol
LogP1.02
Rot. Bonds6

About 2-[4-[(4-propylthiadiazole-5-carbonyl)amino]pyrazol-1-yl]acetic acid

2-[4-[(4-propylthiadiazole-5-carbonyl)amino]pyrazol-1-yl]acetic acid (PubChem CID 65205791) has the molecular formula C11H13N5O3S and a molecular weight of 295.32 g/mol. Its IUPAC name is 2-[4-[(4-propylthiadiazole-5-carbonyl)amino]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(4-propylthiadiazole-5-carbonyl)amino]pyrazol-1-yl]acetic acid
PubChem CID65205791
Molecular FormulaC11H13N5O3S
Molecular Weight295.32 g/mol
Exact Mass295.07
IUPAC Name2-[4-[(4-propylthiadiazole-5-carbonyl)amino]pyrazol-1-yl]acetic acid
SMILESCCCc1nnsc1C(=O)Nc1cnn(CC(=O)O)c1
InChIInChI=1S/C11H13N5O3S/c1-2-3-8-10(20-15-14-8)11(19)13-7-4-12-16(5-7)6-9(17)18/h4-5H,2-3,6H2,1H3,(H,13,19)(H,17,18)
InChIKeyXMITWZCSVYIGMJ-UHFFFAOYSA-N
XLogP1.02
TPSA110.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-propylthiadiazole-5-carbonyl)amino]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[(4-propylthiadiazole-5-carbonyl)amino]pyrazol-1-yl]acetic acid (CID 65205791) is 2-[4-[(4-propylthiadiazole-5-carbonyl)amino]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[(4-propylthiadiazole-5-carbonyl)amino]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[(4-propylthiadiazole-5-carbonyl)amino]pyrazol-1-yl]acetic acid is CCCc1nnsc1C(=O)Nc1cnn(CC(=O)O)c1.
What is the InChIKey of 2-[4-[(4-propylthiadiazole-5-carbonyl)amino]pyrazol-1-yl]acetic acid?
The InChIKey is XMITWZCSVYIGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O3S/c1-2-3-8-10(20-15-14-8)11(19)13-7-4-12-16(5-7)6-9(17)18/h4-5H,2-3,6H2,1H3,(H,13,19)(H,17,18).
What are the key properties of 2-[4-[(4-propylthiadiazole-5-carbonyl)amino]pyrazol-1-yl]acetic acid?
2-[4-[(4-propylthiadiazole-5-carbonyl)amino]pyrazol-1-yl]acetic acid has a molecular weight of 295.32 g/mol, XLogP of 1.02, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-propylthiadiazole-5-carbonyl)amino]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 65205791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).