5-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]-1,3,4-thiadiazole-2-carboxamide

C16H20N4OS — CID 166278646

IUPAC5-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]-1,3,4-thiadiazole-2-carboxamide
SMILESCC1(CCc2ccccc2)CCN(c2nnc(C(N)=O)s2)C1
InChIInChI=1S/C16H20N4OS/c1-16(8-7-12-5-3-2-4-6-12)9-10-20(11-16)15-19-18-14(22-15)13(17)21/h2-6H,7-11H2,1H3,(H2,17,21)
InChIKeyLDSZAQAOWRCHKO-UHFFFAOYSA-N
MW316.43 g/mol
LogP2.49
Rot. Bonds5

About 5-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]-1,3,4-thiadiazole-2-carboxamide

5-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]-1,3,4-thiadiazole-2-carboxamide (PubChem CID 166278646) has the molecular formula C16H20N4OS and a molecular weight of 316.43 g/mol. Its IUPAC name is 5-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]-1,3,4-thiadiazole-2-carboxamide
PubChem CID166278646
Molecular FormulaC16H20N4OS
Molecular Weight316.43 g/mol
Exact Mass316.14
IUPAC Name5-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]-1,3,4-thiadiazole-2-carboxamide
SMILESCC1(CCc2ccccc2)CCN(c2nnc(C(N)=O)s2)C1
InChIInChI=1S/C16H20N4OS/c1-16(8-7-12-5-3-2-4-6-12)9-10-20(11-16)15-19-18-14(22-15)13(17)21/h2-6H,7-11H2,1H3,(H2,17,21)
InChIKeyLDSZAQAOWRCHKO-UHFFFAOYSA-N
XLogP2.49
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3S)-3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]-5-nitropyridine-3-carboxamide
CID 95974485
2-[(3S)-3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]acetic acid
CID 125146477
(2R)-2-amino-1-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]propan-1-one;hydrochloride
CID 119339754
2-(4-aminophenyl)-1-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]ethanone;hydrochloride
CID 119811821
2-amino-1-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]pentan-1-one
CID 119339757
7-amino-1-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]heptan-1-one;hydrochloride
CID 119811815
2-amino-3-methyl-1-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]pentan-1-one;hydrochloride
CID 119811853
2-(1-methylcyclopropyl)ethylbenzene
CID 18548209
2-[3-methyl-3-(2-phenylethyl)pyrrolidine-1-carbonyl]pyridine-4-carboxylic acid
CID 122055855
4-(methylamino)-1-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]butan-1-one;hydrochloride
CID 119811823
1-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]-2-thiomorpholin-3-ylethanone
CID 119940178
(9-amino-3-bicyclo[3.3.1]nonanyl)-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]methanone
CID 120991998

Frequently Asked Questions

What is the IUPAC name of 5-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]-1,3,4-thiadiazole-2-carboxamide (CID 166278646) is 5-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]-1,3,4-thiadiazole-2-carboxamide is CC1(CCc2ccccc2)CCN(c2nnc(C(N)=O)s2)C1.
What is the InChIKey of 5-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is LDSZAQAOWRCHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4OS/c1-16(8-7-12-5-3-2-4-6-12)9-10-20(11-16)15-19-18-14(22-15)13(17)21/h2-6H,7-11H2,1H3,(H2,17,21).
What are the key properties of 5-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]-1,3,4-thiadiazole-2-carboxamide?
5-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 316.43 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-methyl-3-(2-phenylethyl)pyrrolidin-1-yl]-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 166278646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).