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

C12H19N3S — CID 115042250

IUPAC2-cyclohexyl-5-pyrrolidin-3-yl-1,3,4-thiadiazole
SMILESC1CCC(c2nnc(C3CCNC3)s2)CC1
InChIInChI=1S/C12H19N3S/c1-2-4-9(5-3-1)11-14-15-12(16-11)10-6-7-13-8-10/h9-10,13H,1-8H2
InChIKeyBZKBPCWOIVIYGZ-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.66
Rot. Bonds2

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

2-cyclohexyl-5-pyrrolidin-3-yl-1,3,4-thiadiazole (PubChem CID 115042250) has the molecular formula C12H19N3S and a molecular weight of 237.37 g/mol. Its IUPAC name is 2-cyclohexyl-5-pyrrolidin-3-yl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-cyclohexyl-5-pyrrolidin-3-yl-1,3,4-thiadiazole
PubChem CID115042250
Molecular FormulaC12H19N3S
Molecular Weight237.37 g/mol
Exact Mass237.13
IUPAC Name2-cyclohexyl-5-pyrrolidin-3-yl-1,3,4-thiadiazole
SMILESC1CCC(c2nnc(C3CCNC3)s2)CC1
InChIInChI=1S/C12H19N3S/c1-2-4-9(5-3-1)11-14-15-12(16-11)10-6-7-13-8-10/h9-10,13H,1-8H2
InChIKeyBZKBPCWOIVIYGZ-UHFFFAOYSA-N
XLogP2.66
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyclohexyl-2-pyrrolidin-3-yl-1,3-thiazole
CID 115041800
2-(azetidin-3-yl)-5-cyclopropyl-1,3,4-thiadiazole
CID 105439666
2-piperidin-1-yl-5-piperidin-3-yl-1,3,4-thiadiazole
CID 82481560
2-(1-methylcyclobutyl)-5-pyrrolidin-3-yl-1,3,4-thiadiazole
CID 115034146
2-cyclopentyl-4-methyl-5-pyrrolidin-3-yl-1,3-thiazole
CID 116885085
2-bromo-5-cycloheptyl-1,3,4-thiadiazole
CID 63383342
methyl 5-pyrrolidin-3-yl-1,3,4-thiadiazole-2-carboxylate
CID 105466730
2-chloro-5-cycloheptyl-1,3,4-thiadiazole
CID 63386353
4-cyclohexyl-2-piperidin-4-yl-1,3-thiazole;hydrochloride
CID 120558204
2-cyclohexyl-4-methyl-5-piperidin-4-yl-1,3-thiazole
CID 116885152
N-(5-piperidin-3-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 82176640
2-(1-methylcyclobutyl)-5-piperidin-4-yl-1,3,4-thiadiazole
CID 115042255

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-5-pyrrolidin-3-yl-1,3,4-thiadiazole?
The IUPAC name of 2-cyclohexyl-5-pyrrolidin-3-yl-1,3,4-thiadiazole (CID 115042250) is 2-cyclohexyl-5-pyrrolidin-3-yl-1,3,4-thiadiazole.
What is the SMILES notation for 2-cyclohexyl-5-pyrrolidin-3-yl-1,3,4-thiadiazole?
The canonical SMILES for 2-cyclohexyl-5-pyrrolidin-3-yl-1,3,4-thiadiazole is C1CCC(c2nnc(C3CCNC3)s2)CC1.
What is the InChIKey of 2-cyclohexyl-5-pyrrolidin-3-yl-1,3,4-thiadiazole?
The InChIKey is BZKBPCWOIVIYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3S/c1-2-4-9(5-3-1)11-14-15-12(16-11)10-6-7-13-8-10/h9-10,13H,1-8H2.
What are the key properties of 2-cyclohexyl-5-pyrrolidin-3-yl-1,3,4-thiadiazole?
2-cyclohexyl-5-pyrrolidin-3-yl-1,3,4-thiadiazole has a molecular weight of 237.37 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-5-pyrrolidin-3-yl-1,3,4-thiadiazole is sourced from PubChem (CID 115042250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).