2-ethyl-5-pyrrolidin-1-yl-1,3,4-thiadiazole

C8H13N3S — CID 154700595

IUPAC2-ethyl-5-pyrrolidin-1-yl-1,3,4-thiadiazole
SMILESCCc1nnc(N2CCCC2)s1
InChIInChI=1S/C8H13N3S/c1-2-7-9-10-8(12-7)11-5-3-4-6-11/h2-6H2,1H3
InChIKeyBIFGKQXRRYRYFT-UHFFFAOYSA-N
MW183.28 g/mol
LogP1.70
Rot. Bonds2

About 2-ethyl-5-pyrrolidin-1-yl-1,3,4-thiadiazole

2-ethyl-5-pyrrolidin-1-yl-1,3,4-thiadiazole (PubChem CID 154700595) has the molecular formula C8H13N3S and a molecular weight of 183.28 g/mol. Its IUPAC name is 2-ethyl-5-pyrrolidin-1-yl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-ethyl-5-pyrrolidin-1-yl-1,3,4-thiadiazole
PubChem CID154700595
Molecular FormulaC8H13N3S
Molecular Weight183.28 g/mol
Exact Mass183.08
IUPAC Name2-ethyl-5-pyrrolidin-1-yl-1,3,4-thiadiazole
SMILESCCc1nnc(N2CCCC2)s1
InChIInChI=1S/C8H13N3S/c1-2-7-9-10-8(12-7)11-5-3-4-6-11/h2-6H2,1H3
InChIKeyBIFGKQXRRYRYFT-UHFFFAOYSA-N
XLogP1.70
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-Pyrrolidinyl)-5-trifluoromethyl-1,3,4-thiadi-azole
CID 86234257
2-(Difluoromethyl)-5-(pyrrolidin-1-yl)-1,3,4-thiadiazole
CID 71848646
N-methyl-5-propyl-N-(3,3,3-trifluoropropyl)-1,3,4-thiadiazol-2-amine
CID 75442120
N,5-dimethyl-N-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]methyl]-1,3,4-thiadiazol-2-amine
CID 164633838
2-(3,3-Difluoropyrrolidin-1-yl)-5-methyl-1,3,4-thiadiazole
CID 122269215
2-[2-(Fluoromethyl)pyrrolidin-1-yl]-5-methyl-1,3,4-thiadiazole
CID 126787286
2-(3-Fluoro-3-methylpyrrolidin-1-yl)-5-methyl-1,3,4-thiadiazole
CID 126989358
2-(3,3-Difluoropyrrolidin-1-yl)-5-(propan-2-yl)-1,3,4-thiadiazole
CID 127749765
2-Cyclopropyl-5-(3,3-difluoropyrrolidin-1-yl)-1,3,4-thiadiazole
CID 137955485
2-Tert-butyl-5-[3-(difluoromethyl)pyrrolidin-1-yl]-1,3,4-thiadiazole
CID 166602980
2-(3-Fluoropyrrolidin-1-yl)-5-methyl-1,3,4-thiadiazole
CID 171701626
2-[3-(Difluoromethyl)pyrrolidin-1-yl]-5-propan-2-yl-1,3,4-thiadiazole
CID 177802466

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-pyrrolidin-1-yl-1,3,4-thiadiazole?
The IUPAC name of 2-ethyl-5-pyrrolidin-1-yl-1,3,4-thiadiazole (CID 154700595) is 2-ethyl-5-pyrrolidin-1-yl-1,3,4-thiadiazole.
What is the SMILES notation for 2-ethyl-5-pyrrolidin-1-yl-1,3,4-thiadiazole?
The canonical SMILES for 2-ethyl-5-pyrrolidin-1-yl-1,3,4-thiadiazole is CCc1nnc(N2CCCC2)s1.
What is the InChIKey of 2-ethyl-5-pyrrolidin-1-yl-1,3,4-thiadiazole?
The InChIKey is BIFGKQXRRYRYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3S/c1-2-7-9-10-8(12-7)11-5-3-4-6-11/h2-6H2,1H3.
What are the key properties of 2-ethyl-5-pyrrolidin-1-yl-1,3,4-thiadiazole?
2-ethyl-5-pyrrolidin-1-yl-1,3,4-thiadiazole has a molecular weight of 183.28 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-pyrrolidin-1-yl-1,3,4-thiadiazole is sourced from PubChem (CID 154700595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).