N-[2-methyl-4-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]oxyphenyl]thiadiazole-5-carboxamide

C15H16N4O3S — CID 124874989

IUPACN-[2-methyl-4-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]oxyphenyl]thiadiazole-5-carboxamide
SMILESCc1cc(O[C@@H]2CCN(C)C2=O)ccc1NC(=O)c1cnns1
InChIInChI=1S/C15H16N4O3S/c1-9-7-10(22-12-5-6-19(2)15(12)21)3-4-11(9)17-14(20)13-8-16-18-23-13/h3-4,7-8,12H,5-6H2,1-2H3,(H,17,20)/t12-/m1/s1
InChIKeyICRCMZYFBFZYAY-GFCCVEGCSA-N
MW332.39 g/mol
LogP1.71
Rot. Bonds4

About N-[2-methyl-4-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]oxyphenyl]thiadiazole-5-carboxamide

N-[2-methyl-4-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]oxyphenyl]thiadiazole-5-carboxamide (PubChem CID 124874989) has the molecular formula C15H16N4O3S and a molecular weight of 332.39 g/mol. Its IUPAC name is N-[2-methyl-4-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]oxyphenyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-4-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]oxyphenyl]thiadiazole-5-carboxamide
PubChem CID124874989
Molecular FormulaC15H16N4O3S
Molecular Weight332.39 g/mol
Exact Mass332.09
IUPAC NameN-[2-methyl-4-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]oxyphenyl]thiadiazole-5-carboxamide
SMILESCc1cc(O[C@@H]2CCN(C)C2=O)ccc1NC(=O)c1cnns1
InChIInChI=1S/C15H16N4O3S/c1-9-7-10(22-12-5-6-19(2)15(12)21)3-4-11(9)17-14(20)13-8-16-18-23-13/h3-4,7-8,12H,5-6H2,1-2H3,(H,17,20)/t12-/m1/s1
InChIKeyICRCMZYFBFZYAY-GFCCVEGCSA-N
XLogP1.71
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.39
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,4-dimethylphenyl)thiadiazole-5-carboxamide
CID 47259565
[4-(3,4-dimethylphenoxy)piperidin-1-yl]-(thiadiazol-5-yl)methanone
CID 56817214
3-methyl-4-(thiadiazole-5-carbonylamino)benzenesulfonyl chloride
CID 65216209
N-[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]thiadiazole-5-carboxamide
CID 65215724
3-fluoro-4-(thiadiazole-5-carbonylamino)benzoic acid
CID 55157917
3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]-5-(1-methyl-2-oxopyrrolidin-3-yl)oxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 50914586
2-methyl-4-(thiadiazole-5-carbonylamino)benzenesulfonyl chloride
CID 65216260
3-methyl-4-[(1-methyl-2-oxopyrrolidin-3-yl)amino]benzoic acid
CID 114165050
N-[4-[(1S,2S,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-2-methylphenyl]thiophene-2-carboxamide
CID 1313211
N-[4-[(1S,2S,6R,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-2-methylphenyl]thiophene-2-carboxamide
CID 23350553
N-(4-formyl-1,3-thiazol-2-yl)-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]-5-(1-methyl-2-oxopyrrolidin-3-yl)oxybenzamide
CID 88592702
5-[(2-methyl-4-propoxyphenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120685180

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-4-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]oxyphenyl]thiadiazole-5-carboxamide?
The IUPAC name of N-[2-methyl-4-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]oxyphenyl]thiadiazole-5-carboxamide (CID 124874989) is N-[2-methyl-4-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]oxyphenyl]thiadiazole-5-carboxamide.
What is the SMILES notation for N-[2-methyl-4-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]oxyphenyl]thiadiazole-5-carboxamide?
The canonical SMILES for N-[2-methyl-4-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]oxyphenyl]thiadiazole-5-carboxamide is Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1NC(=O)c1cnns1.
What is the InChIKey of N-[2-methyl-4-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]oxyphenyl]thiadiazole-5-carboxamide?
The InChIKey is ICRCMZYFBFZYAY-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H16N4O3S/c1-9-7-10(22-12-5-6-19(2)15(12)21)3-4-11(9)17-14(20)13-8-16-18-23-13/h3-4,7-8,12H,5-6H2,1-2H3,(H,17,20)/t12-/m1/s1.
What are the key properties of N-[2-methyl-4-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]oxyphenyl]thiadiazole-5-carboxamide?
N-[2-methyl-4-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]oxyphenyl]thiadiazole-5-carboxamide has a molecular weight of 332.39 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-4-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]oxyphenyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 124874989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).