2-piperidin-1-yl-5-piperidin-3-yl-1,3,4-thiadiazole

C12H20N4S — CID 82481560

IUPAC2-piperidin-1-yl-5-piperidin-3-yl-1,3,4-thiadiazole
SMILESC1CCN(c2nnc(C3CCCNC3)s2)CC1
InChIInChI=1S/C12H20N4S/c1-2-7-16(8-3-1)12-15-14-11(17-12)10-5-4-6-13-9-10/h10,13H,1-9H2
InChIKeyWLALDBZEPKLRRM-UHFFFAOYSA-N
MW252.39 g/mol
LogP2.00
Rot. Bonds2

About 2-piperidin-1-yl-5-piperidin-3-yl-1,3,4-thiadiazole

2-piperidin-1-yl-5-piperidin-3-yl-1,3,4-thiadiazole (PubChem CID 82481560) has the molecular formula C12H20N4S and a molecular weight of 252.39 g/mol. Its IUPAC name is 2-piperidin-1-yl-5-piperidin-3-yl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-piperidin-1-yl-5-piperidin-3-yl-1,3,4-thiadiazole
PubChem CID82481560
Molecular FormulaC12H20N4S
Molecular Weight252.39 g/mol
Exact Mass252.14
IUPAC Name2-piperidin-1-yl-5-piperidin-3-yl-1,3,4-thiadiazole
SMILESC1CCN(c2nnc(C3CCCNC3)s2)CC1
InChIInChI=1S/C12H20N4S/c1-2-7-16(8-3-1)12-15-14-11(17-12)10-5-4-6-13-9-10/h10,13H,1-9H2
InChIKeyWLALDBZEPKLRRM-UHFFFAOYSA-N
XLogP2.00
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.39
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(azepan-1-yl)-5-cyclopropyl-1,3,4-thiadiazole
CID 133365790
2-cyclohexyl-5-pyrrolidin-3-yl-1,3,4-thiadiazole
CID 115042250
benzaldehyde;2-[(3S)-1-benzylpiperidin-3-yl]-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole;2-[(3S)-piperidin-3-yl]-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole
CID 158511362
2-piperidin-3-yl-5-pyrrolidin-1-yl-1,3,4-oxadiazole
CID 82473056
N-(5-piperidin-3-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 82176640
1-[4-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-2-methylpropan-1-one
CID 108729682
1-[4-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-2-methylprop-2-en-1-one
CID 108729648
2-[(3S)-1-(5-bromopyrimidin-2-yl)piperidin-3-yl]-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole
CID 58430491
4-methyl-2-[(3S)-piperidin-3-yl]-1,3-thiazole
CID 42078596
2-chloro-1-[4-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]propan-1-one
CID 108729706
azocan-1-yl-(2-piperidin-3-yl-1,3-thiazol-4-yl)methanone
CID 3678062
2-piperidin-3-yl-1,3-thiazole-5-carboxylic acid
CID 105466008

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-yl-5-piperidin-3-yl-1,3,4-thiadiazole?
The IUPAC name of 2-piperidin-1-yl-5-piperidin-3-yl-1,3,4-thiadiazole (CID 82481560) is 2-piperidin-1-yl-5-piperidin-3-yl-1,3,4-thiadiazole.
What is the SMILES notation for 2-piperidin-1-yl-5-piperidin-3-yl-1,3,4-thiadiazole?
The canonical SMILES for 2-piperidin-1-yl-5-piperidin-3-yl-1,3,4-thiadiazole is C1CCN(c2nnc(C3CCCNC3)s2)CC1.
What is the InChIKey of 2-piperidin-1-yl-5-piperidin-3-yl-1,3,4-thiadiazole?
The InChIKey is WLALDBZEPKLRRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4S/c1-2-7-16(8-3-1)12-15-14-11(17-12)10-5-4-6-13-9-10/h10,13H,1-9H2.
What are the key properties of 2-piperidin-1-yl-5-piperidin-3-yl-1,3,4-thiadiazole?
2-piperidin-1-yl-5-piperidin-3-yl-1,3,4-thiadiazole has a molecular weight of 252.39 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-yl-5-piperidin-3-yl-1,3,4-thiadiazole is sourced from PubChem (CID 82481560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).