5-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole

C16H21N3OS — CID 133369937

IUPAC5-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole
SMILESCOc1cccc(C2CCCN2c2nc(C(C)C)ns2)c1
InChIInChI=1S/C16H21N3OS/c1-11(2)15-17-16(21-18-15)19-9-5-8-14(19)12-6-4-7-13(10-12)20-3/h4,6-7,10-11,14H,5,8-9H2,1-3H3
InChIKeySCTBNHJVLAAENS-UHFFFAOYSA-N
MW303.43 g/mol
LogP4.01
Rot. Bonds4

About 5-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole

5-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole (PubChem CID 133369937) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 5-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole
PubChem CID133369937
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name5-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole
SMILESCOc1cccc(C2CCCN2c2nc(C(C)C)ns2)c1
InChIInChI=1S/C16H21N3OS/c1-11(2)15-17-16(21-18-15)19-9-5-8-14(19)12-6-4-7-13(10-12)20-3/h4,6-7,10-11,14H,5,8-9H2,1-3H3
InChIKeySCTBNHJVLAAENS-UHFFFAOYSA-N
XLogP4.01
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole
CID 133426356
5-[2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-4-pyridinyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 133333521
2-[2-(3-methoxyphenyl)pyrrolidin-1-yl]quinoline
CID 133331422
5-[[2-(3-methoxyphenyl)pyrrolidin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 51075931
3-cyclopropyl-6-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 133333569
5-[2-(methoxymethyl)pyrrolidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole
CID 133428857
5-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-3-phenyl-1,2,4-thiadiazole
CID 133345318
bis[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 174863821
2-cyclopropyl-5-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-1,3,4-oxadiazole
CID 125138384
3-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-6-(3-methylpyrazol-1-yl)pyridazine
CID 133333528
5-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole
CID 124890486
(2S)-1-ethyl-2-(3-methoxyphenyl)pyrrolidine
CID 95154091

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole?
The IUPAC name of 5-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole (CID 133369937) is 5-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole.
What is the SMILES notation for 5-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole?
The canonical SMILES for 5-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole is COc1cccc(C2CCCN2c2nc(C(C)C)ns2)c1.
What is the InChIKey of 5-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole?
The InChIKey is SCTBNHJVLAAENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-11(2)15-17-16(21-18-15)19-9-5-8-14(19)12-6-4-7-13(10-12)20-3/h4,6-7,10-11,14H,5,8-9H2,1-3H3.
What are the key properties of 5-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole?
5-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole has a molecular weight of 303.43 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole is sourced from PubChem (CID 133369937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).