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

C11H19N3OS — CID 133428857

IUPAC5-[2-(methoxymethyl)pyrrolidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole
SMILESCOCC1CCCN1c1nc(C(C)C)ns1
InChIInChI=1S/C11H19N3OS/c1-8(2)10-12-11(16-13-10)14-6-4-5-9(14)7-15-3/h8-9H,4-7H2,1-3H3
InChIKeyFHGWPVMXIQMABW-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.28
Rot. Bonds4

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

5-[2-(methoxymethyl)pyrrolidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole (PubChem CID 133428857) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 5-[2-(methoxymethyl)pyrrolidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-[2-(methoxymethyl)pyrrolidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole
PubChem CID133428857
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name5-[2-(methoxymethyl)pyrrolidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole
SMILESCOCC1CCCN1c1nc(C(C)C)ns1
InChIInChI=1S/C11H19N3OS/c1-8(2)10-12-11(16-13-10)14-6-4-5-9(14)7-15-3/h8-9H,4-7H2,1-3H3
InChIKeyFHGWPVMXIQMABW-UHFFFAOYSA-N
XLogP2.28
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethyl-5-[2-(methoxymethyl)pyrrolidin-1-yl]-1,2,4-thiadiazole
CID 133428859
5-[2-(bromomethyl)piperidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole
CID 80675546
N-[[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methyl]propan-2-amine
CID 65280336
4-methoxy-2-[2-(methoxymethyl)pyrrolidin-1-yl]-1,3-thiazole
CID 174748579
5-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole
CID 133426356
5-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole
CID 133369937
5-[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]-3-methyl-1,2,4-thiadiazole
CID 125143605
N-methyl-1-[4-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)morpholin-3-yl]methanamine
CID 83105830
2-methoxy-N-[[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]ethanamine
CID 65280695
5-[4-[(2S)-1-methoxypropan-2-yl]piperazin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole
CID 95785318
N-[[1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]methyl]-2-methoxyethanamine
CID 65279971
[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methanamine
CID 65272653

Frequently Asked Questions

What is the IUPAC name of 5-[2-(methoxymethyl)pyrrolidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole?
The IUPAC name of 5-[2-(methoxymethyl)pyrrolidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole (CID 133428857) is 5-[2-(methoxymethyl)pyrrolidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole.
What is the SMILES notation for 5-[2-(methoxymethyl)pyrrolidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole?
The canonical SMILES for 5-[2-(methoxymethyl)pyrrolidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole is COCC1CCCN1c1nc(C(C)C)ns1.
What is the InChIKey of 5-[2-(methoxymethyl)pyrrolidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole?
The InChIKey is FHGWPVMXIQMABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-8(2)10-12-11(16-13-10)14-6-4-5-9(14)7-15-3/h8-9H,4-7H2,1-3H3.
What are the key properties of 5-[2-(methoxymethyl)pyrrolidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole?
5-[2-(methoxymethyl)pyrrolidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole has a molecular weight of 241.36 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(methoxymethyl)pyrrolidin-1-yl]-3-propan-2-yl-1,2,4-thiadiazole is sourced from PubChem (CID 133428857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).