2-(1-methylpyrazol-4-yl)-2-(1,2,5-thiadiazole-3-carbonylamino)acetic acid

C9H9N5O3S — CID 115288107

IUPAC2-(1-methylpyrazol-4-yl)-2-(1,2,5-thiadiazole-3-carbonylamino)acetic acid
SMILESCn1cc(C(NC(=O)c2cnsn2)C(=O)O)cn1
InChIInChI=1S/C9H9N5O3S/c1-14-4-5(2-10-14)7(9(16)17)12-8(15)6-3-11-18-13-6/h2-4,7H,1H3,(H,12,15)(H,16,17)
InChIKeyYJLKJEDNVVEFJE-UHFFFAOYSA-N
MW267.27 g/mol
LogP-0.17
Rot. Bonds4

About 2-(1-methylpyrazol-4-yl)-2-(1,2,5-thiadiazole-3-carbonylamino)acetic acid

2-(1-methylpyrazol-4-yl)-2-(1,2,5-thiadiazole-3-carbonylamino)acetic acid (PubChem CID 115288107) has the molecular formula C9H9N5O3S and a molecular weight of 267.27 g/mol. Its IUPAC name is 2-(1-methylpyrazol-4-yl)-2-(1,2,5-thiadiazole-3-carbonylamino)acetic acid.

Molecular Properties

Compound Name2-(1-methylpyrazol-4-yl)-2-(1,2,5-thiadiazole-3-carbonylamino)acetic acid
PubChem CID115288107
Molecular FormulaC9H9N5O3S
Molecular Weight267.27 g/mol
Exact Mass267.04
IUPAC Name2-(1-methylpyrazol-4-yl)-2-(1,2,5-thiadiazole-3-carbonylamino)acetic acid
SMILESCn1cc(C(NC(=O)c2cnsn2)C(=O)O)cn1
InChIInChI=1S/C9H9N5O3S/c1-14-4-5(2-10-14)7(9(16)17)12-8(15)6-3-11-18-13-6/h2-4,7H,1H3,(H,12,15)(H,16,17)
InChIKeyYJLKJEDNVVEFJE-UHFFFAOYSA-N
XLogP-0.17
TPSA110.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.27
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(4-hydroxybenzoyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115288199
2-[(5-fluoropyridine-2-carbonyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 104638368
2-(1-methylpyrazol-4-yl)-2-(thiophene-3-carbonylamino)acetic acid
CID 113279490
2-[[4-(aminomethyl)benzoyl]amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115288689
2-[[(2R)-2-aminopropanoyl]amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115288761
2-(1-methylpyrazol-4-yl)-2-(prop-2-enoylamino)acetic acid
CID 115287988
2-(2,3-dimethylbutanoylamino)-2-(1-methylpyrazol-4-yl)acetic acid
CID 115288233
2-[(3-amino-2,2,3-trimethylbutanoyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115288784
2-[(2-iodobenzoyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115287967
2-[(3,4-dimethylbenzoyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115287952
2-(tert-butylcarbamoylamino)-2-(1-methylpyrazol-4-yl)acetic acid
CID 115288293
2-[(6-chloropyridine-3-carbonyl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115287993

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-4-yl)-2-(1,2,5-thiadiazole-3-carbonylamino)acetic acid?
The IUPAC name of 2-(1-methylpyrazol-4-yl)-2-(1,2,5-thiadiazole-3-carbonylamino)acetic acid (CID 115288107) is 2-(1-methylpyrazol-4-yl)-2-(1,2,5-thiadiazole-3-carbonylamino)acetic acid.
What is the SMILES notation for 2-(1-methylpyrazol-4-yl)-2-(1,2,5-thiadiazole-3-carbonylamino)acetic acid?
The canonical SMILES for 2-(1-methylpyrazol-4-yl)-2-(1,2,5-thiadiazole-3-carbonylamino)acetic acid is Cn1cc(C(NC(=O)c2cnsn2)C(=O)O)cn1.
What is the InChIKey of 2-(1-methylpyrazol-4-yl)-2-(1,2,5-thiadiazole-3-carbonylamino)acetic acid?
The InChIKey is YJLKJEDNVVEFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O3S/c1-14-4-5(2-10-14)7(9(16)17)12-8(15)6-3-11-18-13-6/h2-4,7H,1H3,(H,12,15)(H,16,17).
What are the key properties of 2-(1-methylpyrazol-4-yl)-2-(1,2,5-thiadiazole-3-carbonylamino)acetic acid?
2-(1-methylpyrazol-4-yl)-2-(1,2,5-thiadiazole-3-carbonylamino)acetic acid has a molecular weight of 267.27 g/mol, XLogP of -0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-4-yl)-2-(1,2,5-thiadiazole-3-carbonylamino)acetic acid is sourced from PubChem (CID 115288107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).