3-[(4-methylthiadiazole-5-carbonyl)amino]-2,3-dihydro-1H-indene-1-carboxylic acid

C14H13N3O3S — CID 146135154

IUPAC3-[(4-methylthiadiazole-5-carbonyl)amino]-2,3-dihydro-1H-indene-1-carboxylic acid
SMILESCc1nnsc1C(=O)NC1CC(C(=O)O)c2ccccc21
InChIInChI=1S/C14H13N3O3S/c1-7-12(21-17-16-7)13(18)15-11-6-10(14(19)20)8-4-2-3-5-9(8)11/h2-5,10-11H,6H2,1H3,(H,15,18)(H,19,20)
InChIKeyGYMSJEUIERYHJZ-UHFFFAOYSA-N
MW303.34 g/mol
LogP1.89
Rot. Bonds3

About 3-[(4-methylthiadiazole-5-carbonyl)amino]-2,3-dihydro-1H-indene-1-carboxylic acid

3-[(4-methylthiadiazole-5-carbonyl)amino]-2,3-dihydro-1H-indene-1-carboxylic acid (PubChem CID 146135154) has the molecular formula C14H13N3O3S and a molecular weight of 303.34 g/mol. Its IUPAC name is 3-[(4-methylthiadiazole-5-carbonyl)amino]-2,3-dihydro-1H-indene-1-carboxylic acid.

Molecular Properties

Compound Name3-[(4-methylthiadiazole-5-carbonyl)amino]-2,3-dihydro-1H-indene-1-carboxylic acid
PubChem CID146135154
Molecular FormulaC14H13N3O3S
Molecular Weight303.34 g/mol
Exact Mass303.07
IUPAC Name3-[(4-methylthiadiazole-5-carbonyl)amino]-2,3-dihydro-1H-indene-1-carboxylic acid
SMILESCc1nnsc1C(=O)NC1CC(C(=O)O)c2ccccc21
InChIInChI=1S/C14H13N3O3S/c1-7-12(21-17-16-7)13(18)15-11-6-10(14(19)20)8-4-2-3-5-9(8)11/h2-5,10-11H,6H2,1H3,(H,15,18)(H,19,20)
InChIKeyGYMSJEUIERYHJZ-UHFFFAOYSA-N
XLogP1.89
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylthiadiazole-5-carbonyl)amino]-2,3-dihydro-1H-indene-1-carboxylic acid?
The IUPAC name of 3-[(4-methylthiadiazole-5-carbonyl)amino]-2,3-dihydro-1H-indene-1-carboxylic acid (CID 146135154) is 3-[(4-methylthiadiazole-5-carbonyl)amino]-2,3-dihydro-1H-indene-1-carboxylic acid.
What is the SMILES notation for 3-[(4-methylthiadiazole-5-carbonyl)amino]-2,3-dihydro-1H-indene-1-carboxylic acid?
The canonical SMILES for 3-[(4-methylthiadiazole-5-carbonyl)amino]-2,3-dihydro-1H-indene-1-carboxylic acid is Cc1nnsc1C(=O)NC1CC(C(=O)O)c2ccccc21.
What is the InChIKey of 3-[(4-methylthiadiazole-5-carbonyl)amino]-2,3-dihydro-1H-indene-1-carboxylic acid?
The InChIKey is GYMSJEUIERYHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3S/c1-7-12(21-17-16-7)13(18)15-11-6-10(14(19)20)8-4-2-3-5-9(8)11/h2-5,10-11H,6H2,1H3,(H,15,18)(H,19,20).
What are the key properties of 3-[(4-methylthiadiazole-5-carbonyl)amino]-2,3-dihydro-1H-indene-1-carboxylic acid?
3-[(4-methylthiadiazole-5-carbonyl)amino]-2,3-dihydro-1H-indene-1-carboxylic acid has a molecular weight of 303.34 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylthiadiazole-5-carbonyl)amino]-2,3-dihydro-1H-indene-1-carboxylic acid is sourced from PubChem (CID 146135154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).