2-(2,3-dihydro-1H-inden-2-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid

C14H12N2O3S — CID 107856148

IUPAC2-(2,3-dihydro-1H-inden-2-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(C(=O)NC2Cc3ccccc3C2)n1
InChIInChI=1S/C14H12N2O3S/c17-12(13-16-11(7-20-13)14(18)19)15-10-5-8-3-1-2-4-9(8)6-10/h1-4,7,10H,5-6H2,(H,15,17)(H,18,19)
InChIKeyLOAVLENNWOOYIX-UHFFFAOYSA-N
MW288.33 g/mol
LogP1.74
Rot. Bonds3

About 2-(2,3-dihydro-1H-inden-2-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid

2-(2,3-dihydro-1H-inden-2-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid (PubChem CID 107856148) has the molecular formula C14H12N2O3S and a molecular weight of 288.33 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-2-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-2-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid
PubChem CID107856148
Molecular FormulaC14H12N2O3S
Molecular Weight288.33 g/mol
Exact Mass288.06
IUPAC Name2-(2,3-dihydro-1H-inden-2-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1csc(C(=O)NC2Cc3ccccc3C2)n1
InChIInChI=1S/C14H12N2O3S/c17-12(13-16-11(7-20-13)14(18)19)15-10-5-8-3-1-2-4-9(8)6-10/h1-4,7,10H,5-6H2,(H,15,17)(H,18,19)
InChIKeyLOAVLENNWOOYIX-UHFFFAOYSA-N
XLogP1.74
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(2,3-dihydro-1H-inden-2-yl)-1,3-thiazole-4-carboxamide
CID 107842728
N-(2,3-dihydro-1H-inden-2-yl)benzamide
CID 2823441
CID 153368411
CID 153368411
2-[(3-ethylcyclohexyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116697211
4-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-1,3-thiazole-2-carboxylic acid
CID 107853799
2-[(2-methylcyclohexyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696629
2-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116697089
2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116697239
2-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid
CID 116696537
2-[3-(cyclopropylamino)propylcarbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696775
N-(2,3-dihydro-1H-inden-2-yl)-5-iodothiophene-3-carboxamide
CID 104693627
N-(2,3-dihydro-1H-inden-2-yl)-6-fluoropyridine-2-carboxamide
CID 113442142

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-2-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(2,3-dihydro-1H-inden-2-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid (CID 107856148) is 2-(2,3-dihydro-1H-inden-2-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-2-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-2-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid is O=C(O)c1csc(C(=O)NC2Cc3ccccc3C2)n1.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-2-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is LOAVLENNWOOYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3S/c17-12(13-16-11(7-20-13)14(18)19)15-10-5-8-3-1-2-4-9(8)6-10/h1-4,7,10H,5-6H2,(H,15,17)(H,18,19).
What are the key properties of 2-(2,3-dihydro-1H-inden-2-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid?
2-(2,3-dihydro-1H-inden-2-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid has a molecular weight of 288.33 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-2-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 107856148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).