2-[1-(thiadiazol-5-ylcarbamoyl)-2,3-dihydroindol-3-yl]acetic acid

C13H12N4O3S — CID 114913033

IUPAC2-[1-(thiadiazol-5-ylcarbamoyl)-2,3-dihydroindol-3-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)Nc2cnns2)c2ccccc21
InChIInChI=1S/C13H12N4O3S/c18-12(19)5-8-7-17(10-4-2-1-3-9(8)10)13(20)15-11-6-14-16-21-11/h1-4,6,8H,5,7H2,(H,15,20)(H,18,19)
InChIKeySHVZBXKRFSNYNK-UHFFFAOYSA-N
MW304.33 g/mol
LogP2.15
Rot. Bonds3

About 2-[1-(thiadiazol-5-ylcarbamoyl)-2,3-dihydroindol-3-yl]acetic acid

2-[1-(thiadiazol-5-ylcarbamoyl)-2,3-dihydroindol-3-yl]acetic acid (PubChem CID 114913033) has the molecular formula C13H12N4O3S and a molecular weight of 304.33 g/mol. Its IUPAC name is 2-[1-(thiadiazol-5-ylcarbamoyl)-2,3-dihydroindol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(thiadiazol-5-ylcarbamoyl)-2,3-dihydroindol-3-yl]acetic acid
PubChem CID114913033
Molecular FormulaC13H12N4O3S
Molecular Weight304.33 g/mol
Exact Mass304.06
IUPAC Name2-[1-(thiadiazol-5-ylcarbamoyl)-2,3-dihydroindol-3-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)Nc2cnns2)c2ccccc21
InChIInChI=1S/C13H12N4O3S/c18-12(19)5-8-7-17(10-4-2-1-3-9(8)10)13(20)15-11-6-14-16-21-11/h1-4,6,8H,5,7H2,(H,15,20)(H,18,19)
InChIKeySHVZBXKRFSNYNK-UHFFFAOYSA-N
XLogP2.15
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(tert-butylcarbamoyl)-2,3-dihydroindol-3-yl]acetic acid
CID 80573957
2-(1-acetyl-2,3-dihydroindol-3-yl)acetic acid
CID 44720734
2-[1-(thiolane-3-carbonyl)-2,3-dihydroindol-3-yl]acetic acid
CID 80573955
2-[1-(2-aminoacetyl)-2,3-dihydroindol-3-yl]acetic acid
CID 80573375
3-(2-aminoethyl)-N-phenyl-2,3-dihydroindole-1-carboxamide
CID 63235966
2-[1-[2-(methylamino)propanoyl]-2,3-dihydroindol-3-yl]acetic acid
CID 80573414
2-[1-(2-methylsulfonylacetyl)-2,3-dihydroindol-3-yl]acetic acid
CID 80573660
2-(1-pentanoyl-2,3-dihydroindol-3-yl)acetic acid
CID 79024077
2-[1-(4-amino-4-methylpentanoyl)-2,3-dihydroindol-3-yl]acetic acid
CID 80572965
2-[1-[(2S)-pyrrolidine-2-carbonyl]-2,3-dihydroindol-3-yl]acetic acid
CID 80573569
2-[1-[(2S)-oxolane-2-carbonyl]-2,3-dihydroindol-3-yl]acetic acid
CID 104855867
2-[1-(oxolane-3-carbonyl)-2,3-dihydroindol-3-yl]acetic acid
CID 80573868

Frequently Asked Questions

What is the IUPAC name of 2-[1-(thiadiazol-5-ylcarbamoyl)-2,3-dihydroindol-3-yl]acetic acid?
The IUPAC name of 2-[1-(thiadiazol-5-ylcarbamoyl)-2,3-dihydroindol-3-yl]acetic acid (CID 114913033) is 2-[1-(thiadiazol-5-ylcarbamoyl)-2,3-dihydroindol-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(thiadiazol-5-ylcarbamoyl)-2,3-dihydroindol-3-yl]acetic acid?
The canonical SMILES for 2-[1-(thiadiazol-5-ylcarbamoyl)-2,3-dihydroindol-3-yl]acetic acid is O=C(O)CC1CN(C(=O)Nc2cnns2)c2ccccc21.
What is the InChIKey of 2-[1-(thiadiazol-5-ylcarbamoyl)-2,3-dihydroindol-3-yl]acetic acid?
The InChIKey is SHVZBXKRFSNYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O3S/c18-12(19)5-8-7-17(10-4-2-1-3-9(8)10)13(20)15-11-6-14-16-21-11/h1-4,6,8H,5,7H2,(H,15,20)(H,18,19).
What are the key properties of 2-[1-(thiadiazol-5-ylcarbamoyl)-2,3-dihydroindol-3-yl]acetic acid?
2-[1-(thiadiazol-5-ylcarbamoyl)-2,3-dihydroindol-3-yl]acetic acid has a molecular weight of 304.33 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(thiadiazol-5-ylcarbamoyl)-2,3-dihydroindol-3-yl]acetic acid is sourced from PubChem (CID 114913033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).