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

C12H19N3S — CID 115042255

IUPAC2-(1-methylcyclobutyl)-5-piperidin-4-yl-1,3,4-thiadiazole
SMILESCC1(c2nnc(C3CCNCC3)s2)CCC1
InChIInChI=1S/C12H19N3S/c1-12(5-2-6-12)11-15-14-10(16-11)9-3-7-13-8-4-9/h9,13H,2-8H2,1H3
InChIKeyIRVPYFGRZKHVJE-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.45
Rot. Bonds2

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

2-(1-methylcyclobutyl)-5-piperidin-4-yl-1,3,4-thiadiazole (PubChem CID 115042255) has the molecular formula C12H19N3S and a molecular weight of 237.37 g/mol. Its IUPAC name is 2-(1-methylcyclobutyl)-5-piperidin-4-yl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(1-methylcyclobutyl)-5-piperidin-4-yl-1,3,4-thiadiazole
PubChem CID115042255
Molecular FormulaC12H19N3S
Molecular Weight237.37 g/mol
Exact Mass237.13
IUPAC Name2-(1-methylcyclobutyl)-5-piperidin-4-yl-1,3,4-thiadiazole
SMILESCC1(c2nnc(C3CCNCC3)s2)CCC1
InChIInChI=1S/C12H19N3S/c1-12(5-2-6-12)11-15-14-10(16-11)9-3-7-13-8-4-9/h9,13H,2-8H2,1H3
InChIKeyIRVPYFGRZKHVJE-UHFFFAOYSA-N
XLogP2.45
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 ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-Methyl-1,3,4-thiadiazol-2-yl)piperidine
CID 33680270
4-Fluoro-4-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperidine
CID 164661749
3-(5-Methyl-1,3,4-thiadiazol-2-yl)piperidine
CID 45496749
2-Piperidin-4-yl-5-propan-2-yl-1,3,4-thiadiazole
CID 82470870
3-(5-Methyl-1,3,4-thiadiazol-2-yl)piperidine hydrochloride
CID 91812493
2-Cyclopropyl-5-(4-methylpiperidin-4-yl)-1,3,4-thiadiazole;hydrochloride
CID 156414445
2-Cyclopropyl-5-(4-methylpiperidin-4-yl)-1,3,4-thiadiazole
CID 156414446
2-[3-(Azetidin-3-yl)-1-bicyclo[1.1.1]pentanyl]-5-(2,2-dimethylpropyl)-1,3,4-thiadiazole
CID 169752518
4-(5-Cyclopropyl-1,3,4-thiadiazol-2-yl)piperidine
CID 33680275
2-methyl-5-[(3R)-piperidin-3-yl]-1,3,4-thiadiazole
CID 33680291
2-methyl-5-[(3S)-piperidin-3-yl]-1,3,4-thiadiazole
CID 33680295
2-cyclopropyl-5-[(3S)-piperidin-3-yl]-1,3,4-thiadiazole
CID 33680300

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylcyclobutyl)-5-piperidin-4-yl-1,3,4-thiadiazole?
The IUPAC name of 2-(1-methylcyclobutyl)-5-piperidin-4-yl-1,3,4-thiadiazole (CID 115042255) is 2-(1-methylcyclobutyl)-5-piperidin-4-yl-1,3,4-thiadiazole.
What is the SMILES notation for 2-(1-methylcyclobutyl)-5-piperidin-4-yl-1,3,4-thiadiazole?
The canonical SMILES for 2-(1-methylcyclobutyl)-5-piperidin-4-yl-1,3,4-thiadiazole is CC1(c2nnc(C3CCNCC3)s2)CCC1.
What is the InChIKey of 2-(1-methylcyclobutyl)-5-piperidin-4-yl-1,3,4-thiadiazole?
The InChIKey is IRVPYFGRZKHVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3S/c1-12(5-2-6-12)11-15-14-10(16-11)9-3-7-13-8-4-9/h9,13H,2-8H2,1H3.
What are the key properties of 2-(1-methylcyclobutyl)-5-piperidin-4-yl-1,3,4-thiadiazole?
2-(1-methylcyclobutyl)-5-piperidin-4-yl-1,3,4-thiadiazole has a molecular weight of 237.37 g/mol, XLogP of 2.45, 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-piperidin-4-yl-1,3,4-thiadiazole is sourced from PubChem (CID 115042255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).