ethane;N-(1-hydroxy-2,2,5,5-tetramethylpyrrol-3-yl)-1,2,5-thiadiazole-3-carboxamide

C15H28N4O2S — CID 143738550

IUPACethane;N-(1-hydroxy-2,2,5,5-tetramethylpyrrol-3-yl)-1,2,5-thiadiazole-3-carboxamide
SMILESCC.CC.CC1(C)C=C(NC(=O)c2cnsn2)C(C)(C)N1O
InChIInChI=1S/C11H16N4O2S.2C2H6/c1-10(2)5-8(11(3,4)15(10)17)13-9(16)7-6-12-18-14-7;2*1-2/h5-6,17H,1-4H3,(H,13,16);2*1-2H3
InChIKeyRVTZCQRCDAXMCK-UHFFFAOYSA-N
MW328.48 g/mol
LogP3.47
Rot. Bonds2

About ethane;N-(1-hydroxy-2,2,5,5-tetramethylpyrrol-3-yl)-1,2,5-thiadiazole-3-carboxamide

ethane;N-(1-hydroxy-2,2,5,5-tetramethylpyrrol-3-yl)-1,2,5-thiadiazole-3-carboxamide (PubChem CID 143738550) has the molecular formula C15H28N4O2S and a molecular weight of 328.48 g/mol. Its IUPAC name is ethane;N-(1-hydroxy-2,2,5,5-tetramethylpyrrol-3-yl)-1,2,5-thiadiazole-3-carboxamide.

Molecular Properties

Compound Nameethane;N-(1-hydroxy-2,2,5,5-tetramethylpyrrol-3-yl)-1,2,5-thiadiazole-3-carboxamide
PubChem CID143738550
Molecular FormulaC15H28N4O2S
Molecular Weight328.48 g/mol
Exact Mass328.19
IUPAC Nameethane;N-(1-hydroxy-2,2,5,5-tetramethylpyrrol-3-yl)-1,2,5-thiadiazole-3-carboxamide
SMILESCC.CC.CC1(C)C=C(NC(=O)c2cnsn2)C(C)(C)N1O
InChIInChI=1S/C11H16N4O2S.2C2H6/c1-10(2)5-8(11(3,4)15(10)17)13-9(16)7-6-12-18-14-7;2*1-2/h5-6,17H,1-4H3,(H,13,16);2*1-2H3
InChIKeyRVTZCQRCDAXMCK-UHFFFAOYSA-N
XLogP3.47
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethane;N-(1-hydroxy-2,2,5,5-tetramethylpyrrol-3-yl)-1,2,5-thiadiazole-3-carboxamide?
The IUPAC name of ethane;N-(1-hydroxy-2,2,5,5-tetramethylpyrrol-3-yl)-1,2,5-thiadiazole-3-carboxamide (CID 143738550) is ethane;N-(1-hydroxy-2,2,5,5-tetramethylpyrrol-3-yl)-1,2,5-thiadiazole-3-carboxamide.
What is the SMILES notation for ethane;N-(1-hydroxy-2,2,5,5-tetramethylpyrrol-3-yl)-1,2,5-thiadiazole-3-carboxamide?
The canonical SMILES for ethane;N-(1-hydroxy-2,2,5,5-tetramethylpyrrol-3-yl)-1,2,5-thiadiazole-3-carboxamide is CC.CC.CC1(C)C=C(NC(=O)c2cnsn2)C(C)(C)N1O.
What is the InChIKey of ethane;N-(1-hydroxy-2,2,5,5-tetramethylpyrrol-3-yl)-1,2,5-thiadiazole-3-carboxamide?
The InChIKey is RVTZCQRCDAXMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2S.2C2H6/c1-10(2)5-8(11(3,4)15(10)17)13-9(16)7-6-12-18-14-7;2*1-2/h5-6,17H,1-4H3,(H,13,16);2*1-2H3.
What are the key properties of ethane;N-(1-hydroxy-2,2,5,5-tetramethylpyrrol-3-yl)-1,2,5-thiadiazole-3-carboxamide?
ethane;N-(1-hydroxy-2,2,5,5-tetramethylpyrrol-3-yl)-1,2,5-thiadiazole-3-carboxamide has a molecular weight of 328.48 g/mol, XLogP of 3.47, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(1-hydroxy-2,2,5,5-tetramethylpyrrol-3-yl)-1,2,5-thiadiazole-3-carboxamide is sourced from PubChem (CID 143738550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).