2-(1-methylcyclobutyl)-5-pyrrolidin-3-yl-1,3,4-thiadiazole

C11H17N3S — CID 115034146

IUPAC2-(1-methylcyclobutyl)-5-pyrrolidin-3-yl-1,3,4-thiadiazole
SMILESCC1(c2nnc(C3CCNC3)s2)CCC1
InChIInChI=1S/C11H17N3S/c1-11(4-2-5-11)10-14-13-9(15-10)8-3-6-12-7-8/h8,12H,2-7H2,1H3
InChIKeyAXQUDZHIEZAYOR-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.06
Rot. Bonds2

About 2-(1-methylcyclobutyl)-5-pyrrolidin-3-yl-1,3,4-thiadiazole

2-(1-methylcyclobutyl)-5-pyrrolidin-3-yl-1,3,4-thiadiazole (PubChem CID 115034146) has the molecular formula C11H17N3S and a molecular weight of 223.34 g/mol. Its IUPAC name is 2-(1-methylcyclobutyl)-5-pyrrolidin-3-yl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(1-methylcyclobutyl)-5-pyrrolidin-3-yl-1,3,4-thiadiazole
PubChem CID115034146
Molecular FormulaC11H17N3S
Molecular Weight223.34 g/mol
Exact Mass223.11
IUPAC Name2-(1-methylcyclobutyl)-5-pyrrolidin-3-yl-1,3,4-thiadiazole
SMILESCC1(c2nnc(C3CCNC3)s2)CCC1
InChIInChI=1S/C11H17N3S/c1-11(4-2-5-11)10-14-13-9(15-10)8-3-6-12-7-8/h8,12H,2-7H2,1H3
InChIKeyAXQUDZHIEZAYOR-UHFFFAOYSA-N
XLogP2.06
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-4-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)-N-propan-2-ylpentan-2-amine
CID 167047367
N,3,3-trimethyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)butan-2-amine
CID 65208120
N-ethyl-3,3-dimethyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)butan-2-amine
CID 65208121
3,3-dimethyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)-N-propylbutan-2-amine
CID 65208175
N,3-dimethyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)butan-2-amine
CID 65208231
N-ethyl-3-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)butan-2-amine
CID 65208232
3-methyl-1-(5-methyl-1,3,4-thiadiazol-2-yl)-N-propylbutan-2-amine
CID 65208233
2-(5-methyl-1,3,4-thiadiazol-2-yl)-N-propylpentan-3-amine
CID 65208518
N-ethyl-2-(5-methyl-1,3,4-thiadiazol-2-yl)pentan-3-amine
CID 65208519
N-methyl-2-(5-methyl-1,3,4-thiadiazol-2-yl)pentan-3-amine
CID 65208573
N-[(5-cyclobutyl-1,3,4-thiadiazol-2-yl)methyl]-2-methylpropan-1-amine
CID 65703477
2-methyl-N-[[5-(3-methylbutyl)-1,3,4-thiadiazol-2-yl]methyl]propan-1-amine
CID 65703683

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylcyclobutyl)-5-pyrrolidin-3-yl-1,3,4-thiadiazole?
The IUPAC name of 2-(1-methylcyclobutyl)-5-pyrrolidin-3-yl-1,3,4-thiadiazole (CID 115034146) is 2-(1-methylcyclobutyl)-5-pyrrolidin-3-yl-1,3,4-thiadiazole.
What is the SMILES notation for 2-(1-methylcyclobutyl)-5-pyrrolidin-3-yl-1,3,4-thiadiazole?
The canonical SMILES for 2-(1-methylcyclobutyl)-5-pyrrolidin-3-yl-1,3,4-thiadiazole is CC1(c2nnc(C3CCNC3)s2)CCC1.
What is the InChIKey of 2-(1-methylcyclobutyl)-5-pyrrolidin-3-yl-1,3,4-thiadiazole?
The InChIKey is AXQUDZHIEZAYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3S/c1-11(4-2-5-11)10-14-13-9(15-10)8-3-6-12-7-8/h8,12H,2-7H2,1H3.
What are the key properties of 2-(1-methylcyclobutyl)-5-pyrrolidin-3-yl-1,3,4-thiadiazole?
2-(1-methylcyclobutyl)-5-pyrrolidin-3-yl-1,3,4-thiadiazole has a molecular weight of 223.34 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylcyclobutyl)-5-pyrrolidin-3-yl-1,3,4-thiadiazole is sourced from PubChem (CID 115034146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).