4-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]thiadiazole-5-carboxamide

C15H17N3O3S — CID 51718226

IUPAC4-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]thiadiazole-5-carboxamide
SMILESCOc1ccc(-c2nnsc2C(=O)NC[C@H]2CCCO2)cc1
InChIInChI=1S/C15H17N3O3S/c1-20-11-6-4-10(5-7-11)13-14(22-18-17-13)15(19)16-9-12-3-2-8-21-12/h4-7,12H,2-3,8-9H2,1H3,(H,16,19)/t12-/m1/s1
InChIKeyGOLSBQMVCUVZQF-GFCCVEGCSA-N
MW319.39 g/mol
LogP2.12
Rot. Bonds5

About 4-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]thiadiazole-5-carboxamide

4-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]thiadiazole-5-carboxamide (PubChem CID 51718226) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]thiadiazole-5-carboxamide
PubChem CID51718226
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC Name4-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]thiadiazole-5-carboxamide
SMILESCOc1ccc(-c2nnsc2C(=O)NC[C@H]2CCCO2)cc1
InChIInChI=1S/C15H17N3O3S/c1-20-11-6-4-10(5-7-11)13-14(22-18-17-13)15(19)16-9-12-3-2-8-21-12/h4-7,12H,2-3,8-9H2,1H3,(H,16,19)/t12-/m1/s1
InChIKeyGOLSBQMVCUVZQF-GFCCVEGCSA-N
XLogP2.12
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]thiadiazole-5-carboxamide
CID 100749423
5-(4-methoxyphenyl)-3-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,2-oxazole-4-carboxamide
CID 92757648
N-[[(1S,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-4-(4-methoxyphenyl)thiadiazole-5-carboxamide
CID 99794690
2-N-[2-(4-methoxyphenyl)ethyl]-6-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109096161
N-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-4-(4-methoxyphenyl)thiadiazole-5-carboxamide
CID 51721595
4-N-[(4-methoxyphenyl)methyl]-1-N-(oxolan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109045580
N-[(4-methoxyphenyl)methyl]-4-(4-methylphenyl)thiadiazole-5-carboxamide
CID 100748562
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 7419913
1-[(4-methoxyphenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]triazole-4-carboxamide
CID 7442981
3-N-[2-(4-methoxyphenyl)ethyl]-5-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109103911
4-methoxy-N-[[(2S)-oxolan-2-yl]methylcarbamothioyl]benzamide
CID 806255
[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 4-methoxybenzoate
CID 4129063

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]thiadiazole-5-carboxamide?
The IUPAC name of 4-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]thiadiazole-5-carboxamide (CID 51718226) is 4-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]thiadiazole-5-carboxamide?
The canonical SMILES for 4-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]thiadiazole-5-carboxamide is COc1ccc(-c2nnsc2C(=O)NC[C@H]2CCCO2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]thiadiazole-5-carboxamide?
The InChIKey is GOLSBQMVCUVZQF-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H17N3O3S/c1-20-11-6-4-10(5-7-11)13-14(22-18-17-13)15(19)16-9-12-3-2-8-21-12/h4-7,12H,2-3,8-9H2,1H3,(H,16,19)/t12-/m1/s1.
What are the key properties of 4-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]thiadiazole-5-carboxamide?
4-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]thiadiazole-5-carboxamide has a molecular weight of 319.39 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 51718226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).