2-amino-N-(2,3-dihydro-1H-inden-2-yl)-1,3-thiazole-4-carboxamide

C13H13N3OS — CID 107842728

IUPAC2-amino-N-(2,3-dihydro-1H-inden-2-yl)-1,3-thiazole-4-carboxamide
SMILESNc1nc(C(=O)NC2Cc3ccccc3C2)cs1
InChIInChI=1S/C13H13N3OS/c14-13-16-11(7-18-13)12(17)15-10-5-8-3-1-2-4-9(8)6-10/h1-4,7,10H,5-6H2,(H2,14,16)(H,15,17)
InChIKeyJUTZBISFHNRBJV-UHFFFAOYSA-N
MW259.33 g/mol
LogP1.62
Rot. Bonds2

About 2-amino-N-(2,3-dihydro-1H-inden-2-yl)-1,3-thiazole-4-carboxamide

2-amino-N-(2,3-dihydro-1H-inden-2-yl)-1,3-thiazole-4-carboxamide (PubChem CID 107842728) has the molecular formula C13H13N3OS and a molecular weight of 259.33 g/mol. Its IUPAC name is 2-amino-N-(2,3-dihydro-1H-inden-2-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-(2,3-dihydro-1H-inden-2-yl)-1,3-thiazole-4-carboxamide
PubChem CID107842728
Molecular FormulaC13H13N3OS
Molecular Weight259.33 g/mol
Exact Mass259.08
IUPAC Name2-amino-N-(2,3-dihydro-1H-inden-2-yl)-1,3-thiazole-4-carboxamide
SMILESNc1nc(C(=O)NC2Cc3ccccc3C2)cs1
InChIInChI=1S/C13H13N3OS/c14-13-16-11(7-18-13)12(17)15-10-5-8-3-1-2-4-9(8)6-10/h1-4,7,10H,5-6H2,(H2,14,16)(H,15,17)
InChIKeyJUTZBISFHNRBJV-UHFFFAOYSA-N
XLogP1.62
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-cyclooctyl-1,3-thiazole-4-carboxamide
CID 55116012
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CID 107856148
N-(2,3-dihydro-1H-inden-2-yl)-6-fluoropyridine-2-carboxamide
CID 113442142
2-amino-N-(1-tert-butylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 62788760
(2-amino-1,3-thiazol-4-yl)-[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]methanone
CID 118774810
(2-amino-1,3-thiazol-4-yl)-(1,3-dihydroisoindol-2-yl)methanone
CID 62787759
N-(5-amino-2,3-dihydro-1H-inden-2-yl)pyridine-2-carboxamide
CID 45086915
N-(2,3-dihydro-1H-inden-2-yl)benzamide
CID 2823441
(2-amino-1,3-thiazol-4-yl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 63522293
N-(2,3-dihydro-1H-inden-2-yl)-5-iodothiophene-3-carboxamide
CID 104693627
N-(2,3-dihydro-1H-inden-2-yl)-5-hydrazinylpyridine-2-carboxamide
CID 114009488
CID 153368411
CID 153368411

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,3-dihydro-1H-inden-2-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-amino-N-(2,3-dihydro-1H-inden-2-yl)-1,3-thiazole-4-carboxamide (CID 107842728) is 2-amino-N-(2,3-dihydro-1H-inden-2-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-amino-N-(2,3-dihydro-1H-inden-2-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-amino-N-(2,3-dihydro-1H-inden-2-yl)-1,3-thiazole-4-carboxamide is Nc1nc(C(=O)NC2Cc3ccccc3C2)cs1.
What is the InChIKey of 2-amino-N-(2,3-dihydro-1H-inden-2-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is JUTZBISFHNRBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3OS/c14-13-16-11(7-18-13)12(17)15-10-5-8-3-1-2-4-9(8)6-10/h1-4,7,10H,5-6H2,(H2,14,16)(H,15,17).
What are the key properties of 2-amino-N-(2,3-dihydro-1H-inden-2-yl)-1,3-thiazole-4-carboxamide?
2-amino-N-(2,3-dihydro-1H-inden-2-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 259.33 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,3-dihydro-1H-inden-2-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 107842728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).