2-(4-propan-2-ylpiperidin-1-yl)-1,3,4-thiadiazole

C10H17N3S — CID 169304025

IUPAC2-(4-propan-2-ylpiperidin-1-yl)-1,3,4-thiadiazole
SMILESCC(C)C1CCN(c2nncs2)CC1
InChIInChI=1S/C10H17N3S/c1-8(2)9-3-5-13(6-4-9)10-12-11-7-14-10/h7-9H,3-6H2,1-2H3
InChIKeyAKTPZDLPLFRBBD-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.41
Rot. Bonds2

About 2-(4-propan-2-ylpiperidin-1-yl)-1,3,4-thiadiazole

2-(4-propan-2-ylpiperidin-1-yl)-1,3,4-thiadiazole (PubChem CID 169304025) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is 2-(4-propan-2-ylpiperidin-1-yl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(4-propan-2-ylpiperidin-1-yl)-1,3,4-thiadiazole
PubChem CID169304025
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC Name2-(4-propan-2-ylpiperidin-1-yl)-1,3,4-thiadiazole
SMILESCC(C)C1CCN(c2nncs2)CC1
InChIInChI=1S/C10H17N3S/c1-8(2)9-3-5-13(6-4-9)10-12-11-7-14-10/h7-9H,3-6H2,1-2H3
InChIKeyAKTPZDLPLFRBBD-UHFFFAOYSA-N
XLogP2.41
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-cyclopentylpiperazin-1-yl)-1,3,4-thiadiazole
CID 121184724
3,3-dimethyl-1-(1,3,4-thiadiazol-2-yl)piperidin-4-amine
CID 130505371
2,2-dimethyl-N-[1-(1,3,4-thiadiazol-2-yl)piperidin-4-yl]propanamide
CID 163352586
4-(1,3,4-thiadiazol-2-yl)morpholine;hydrochloride
CID 3047399
6-propan-2-yl-3-[[1-(1,3,4-thiadiazol-2-yl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126942387
N,4-dimethyl-1-(1,3,4-thiadiazol-2-yl)piperidin-4-amine
CID 115305535
(4,6-dimethylpyrimidin-5-yl)-[4-[1-(1,3,4-thiadiazol-2-yl)piperidin-4-yl]piperidin-1-yl]methanone
CID 155494338
acetic acid;[1-(1,3,4-thiadiazol-2-yl)piperidin-4-yl] 2,2,2-trifluoroacetate
CID 66881287
(3R)-N-propan-2-yl-8-(1,3,4-thiadiazol-2-yl)-8-azaspiro[4.5]decane-3-carboxamide
CID 97415499
1-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]ethanol
CID 106837283
1-[1-(4-ethyl-1,3-thiazol-2-yl)piperidin-4-yl]ethanamine
CID 63595044
2-[4-[(3-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-1,3,4-thiadiazole
CID 126873080

Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylpiperidin-1-yl)-1,3,4-thiadiazole?
The IUPAC name of 2-(4-propan-2-ylpiperidin-1-yl)-1,3,4-thiadiazole (CID 169304025) is 2-(4-propan-2-ylpiperidin-1-yl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-(4-propan-2-ylpiperidin-1-yl)-1,3,4-thiadiazole?
The canonical SMILES for 2-(4-propan-2-ylpiperidin-1-yl)-1,3,4-thiadiazole is CC(C)C1CCN(c2nncs2)CC1.
What is the InChIKey of 2-(4-propan-2-ylpiperidin-1-yl)-1,3,4-thiadiazole?
The InChIKey is AKTPZDLPLFRBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-8(2)9-3-5-13(6-4-9)10-12-11-7-14-10/h7-9H,3-6H2,1-2H3.
What are the key properties of 2-(4-propan-2-ylpiperidin-1-yl)-1,3,4-thiadiazole?
2-(4-propan-2-ylpiperidin-1-yl)-1,3,4-thiadiazole has a molecular weight of 211.33 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylpiperidin-1-yl)-1,3,4-thiadiazole is sourced from PubChem (CID 169304025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).