2-(1H-indazole-5-carbonylamino)-2-thiophen-2-ylacetic acid

C14H11N3O3S — CID 115283782

IUPAC2-(1H-indazole-5-carbonylamino)-2-thiophen-2-ylacetic acid
SMILESO=C(NC(C(=O)O)c1cccs1)c1ccc2[nH]ncc2c1
InChIInChI=1S/C14H11N3O3S/c18-13(8-3-4-10-9(6-8)7-15-17-10)16-12(14(19)20)11-2-1-5-21-11/h1-7,12H,(H,15,17)(H,16,18)(H,19,20)
InChIKeyOUDKUXBLBGFQSP-UHFFFAOYSA-N
MW301.33 g/mol
LogP2.18
Rot. Bonds4

About 2-(1H-indazole-5-carbonylamino)-2-thiophen-2-ylacetic acid

2-(1H-indazole-5-carbonylamino)-2-thiophen-2-ylacetic acid (PubChem CID 115283782) has the molecular formula C14H11N3O3S and a molecular weight of 301.33 g/mol. Its IUPAC name is 2-(1H-indazole-5-carbonylamino)-2-thiophen-2-ylacetic acid.

Molecular Properties

Compound Name2-(1H-indazole-5-carbonylamino)-2-thiophen-2-ylacetic acid
PubChem CID115283782
Molecular FormulaC14H11N3O3S
Molecular Weight301.33 g/mol
Exact Mass301.05
IUPAC Name2-(1H-indazole-5-carbonylamino)-2-thiophen-2-ylacetic acid
SMILESO=C(NC(C(=O)O)c1cccs1)c1ccc2[nH]ncc2c1
InChIInChI=1S/C14H11N3O3S/c18-13(8-3-4-10-9(6-8)7-15-17-10)16-12(14(19)20)11-2-1-5-21-11/h1-7,12H,(H,15,17)(H,16,18)(H,19,20)
InChIKeyOUDKUXBLBGFQSP-UHFFFAOYSA-N
XLogP2.18
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(1H-indazole-5-carbonylamino)-3-methylbutanoic acid
CID 79011193
N-(1-thiophen-2-ylbutyl)-1H-indazole-6-carboxamide
CID 62907370
3-(1H-indazole-5-carbonylamino)butanoic acid
CID 43172665
2-(pyridine-3-carbonylamino)-2-thiophen-2-ylacetic acid
CID 113278603
2-[(3-methylbenzoyl)amino]-2-thiophen-2-ylacetic acid
CID 79018523
2-[(3-bromo-4-chlorobenzoyl)amino]-2-thiophen-2-ylacetic acid
CID 107998044
2-[(3-bromo-4-fluorobenzoyl)amino]-2-thiophen-2-ylacetic acid
CID 107949412
2-[(5-methylpyridine-3-carbonyl)amino]-2-thiophen-2-ylacetic acid
CID 115284033
2-[(3,5-dibromobenzoyl)amino]-2-thiophen-2-ylacetic acid
CID 107971632
N-[(2R)-1-hydroxypropan-2-yl]-1H-indazole-5-carboxamide
CID 79027801
N-methyl-1H-indazole-5-carboxamide
CID 22934041
(2R)-2-(1H-indazole-6-carbonylamino)propanoic acid
CID 51888645

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indazole-5-carbonylamino)-2-thiophen-2-ylacetic acid?
The IUPAC name of 2-(1H-indazole-5-carbonylamino)-2-thiophen-2-ylacetic acid (CID 115283782) is 2-(1H-indazole-5-carbonylamino)-2-thiophen-2-ylacetic acid.
What is the SMILES notation for 2-(1H-indazole-5-carbonylamino)-2-thiophen-2-ylacetic acid?
The canonical SMILES for 2-(1H-indazole-5-carbonylamino)-2-thiophen-2-ylacetic acid is O=C(NC(C(=O)O)c1cccs1)c1ccc2[nH]ncc2c1.
What is the InChIKey of 2-(1H-indazole-5-carbonylamino)-2-thiophen-2-ylacetic acid?
The InChIKey is OUDKUXBLBGFQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3S/c18-13(8-3-4-10-9(6-8)7-15-17-10)16-12(14(19)20)11-2-1-5-21-11/h1-7,12H,(H,15,17)(H,16,18)(H,19,20).
What are the key properties of 2-(1H-indazole-5-carbonylamino)-2-thiophen-2-ylacetic acid?
2-(1H-indazole-5-carbonylamino)-2-thiophen-2-ylacetic acid has a molecular weight of 301.33 g/mol, XLogP of 2.18, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indazole-5-carbonylamino)-2-thiophen-2-ylacetic acid is sourced from PubChem (CID 115283782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).