4-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)-1,2,5-oxadiazole-3-carboxamide

C12H12N4O2S — CID 62687957

IUPAC4-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)-1,2,5-oxadiazole-3-carboxamide
SMILESNc1nonc1C(=O)NC1CCSc2ccccc21
InChIInChI=1S/C12H12N4O2S/c13-11-10(15-18-16-11)12(17)14-8-5-6-19-9-4-2-1-3-7(8)9/h1-4,8H,5-6H2,(H2,13,16)(H,14,17)
InChIKeyNICYCOMBUHPJQX-UHFFFAOYSA-N
MW276.32 g/mol
LogP1.62
Rot. Bonds2

About 4-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)-1,2,5-oxadiazole-3-carboxamide

4-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)-1,2,5-oxadiazole-3-carboxamide (PubChem CID 62687957) has the molecular formula C12H12N4O2S and a molecular weight of 276.32 g/mol. Its IUPAC name is 4-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)-1,2,5-oxadiazole-3-carboxamide
PubChem CID62687957
Molecular FormulaC12H12N4O2S
Molecular Weight276.32 g/mol
Exact Mass276.07
IUPAC Name4-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)-1,2,5-oxadiazole-3-carboxamide
SMILESNc1nonc1C(=O)NC1CCSc2ccccc21
InChIInChI=1S/C12H12N4O2S/c13-11-10(15-18-16-11)12(17)14-8-5-6-19-9-4-2-1-3-7(8)9/h1-4,8H,5-6H2,(H2,13,16)(H,14,17)
InChIKeyNICYCOMBUHPJQX-UHFFFAOYSA-N
XLogP1.62
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-4-oxo-3H-phthalazine-1-carboxamide
CID 27856338
2-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 62794608
N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-1,3-benzodioxole-5-carboxamide
CID 9118142
3-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)-4-methylbenzamide
CID 43697769
N-(3,4-dihydro-2H-thiochromen-4-yl)-2-iodobenzamide
CID 51173241
N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 8899013
(2S)-2-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)butanamide
CID 79024984
N-(3,4-dihydro-2H-thiochromen-4-yl)-2-fluoropyridine-4-carboxamide
CID 61292904
N-(3,4-dihydro-2H-thiochromen-4-yl)-3-methylthiophene-2-carboxamide
CID 47106126
N-(3,4-dihydro-2H-thiochromen-4-yl)-4-oxo-1H-pyridine-3-carboxamide
CID 103336899
N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2,5-dimethylthiophene-3-carboxamide
CID 8893170
N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 39546539

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)-1,2,5-oxadiazole-3-carboxamide (CID 62687957) is 4-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)-1,2,5-oxadiazole-3-carboxamide is Nc1nonc1C(=O)NC1CCSc2ccccc21.
What is the InChIKey of 4-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is NICYCOMBUHPJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2S/c13-11-10(15-18-16-11)12(17)14-8-5-6-19-9-4-2-1-3-7(8)9/h1-4,8H,5-6H2,(H2,13,16)(H,14,17).
What are the key properties of 4-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)-1,2,5-oxadiazole-3-carboxamide?
4-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 276.32 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3,4-dihydro-2H-thiochromen-4-yl)-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 62687957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).