5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-amine

C12H21N5S — CID 6917209

IUPAC5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(N2CCC(N3CCCCC3)CC2)s1
InChIInChI=1S/C12H21N5S/c13-11-14-15-12(18-11)17-8-4-10(5-9-17)16-6-2-1-3-7-16/h10H,1-9H2,(H2,13,14)
InChIKeyJIZQXTXPYMFBSI-UHFFFAOYSA-N
MW267.40 g/mol
LogP1.58
Rot. Bonds2

About 5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-amine

5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-amine (PubChem CID 6917209) has the molecular formula C12H21N5S and a molecular weight of 267.40 g/mol. Its IUPAC name is 5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-amine
PubChem CID6917209
Molecular FormulaC12H21N5S
Molecular Weight267.40 g/mol
Exact Mass267.15
IUPAC Name5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-amine
SMILESNc1nnc(N2CCC(N3CCCCC3)CC2)s1
InChIInChI=1S/C12H21N5S/c13-11-14-15-12(18-11)17-8-4-10(5-9-17)16-6-2-1-3-7-16/h10H,1-9H2,(H2,13,14)
InChIKeyJIZQXTXPYMFBSI-UHFFFAOYSA-N
XLogP1.58
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-Piperidin-1-yl-1,3,4-thiadiazol-2-amine
CID 1500010
2-(3-Fluoropiperidin-1-yl)-5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole
CID 62705087
5-(2,6-Dimethylpiperidin-1-yl)-1,3,4-thiadiazol-2-amine
CID 5307348
5-(2-Methylpiperidin-1-yl)-1,3,4-thiadiazol-2-amine
CID 3237818
5-(4-Cyclohexylpiperazin-1-yl)-1,3,4-thiadiazol-2-amine
CID 44122432
2-N,2-N-dicyclohexyl-1,3,4-thiadiazole-2,5-diamine
CID 19016670
2-([1,4'-Bipiperidin]-1'-YL)-5-bromo-1,3,4-thiadiazole
CID 58430437
2-(4-Piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazole
CID 58430606
5-[4-[(1-Methylpiperidin-4-yl)methyl]piperazin-1-yl]-1,3,4-thiadiazol-2-amine
CID 58553171
5-{4-[(4-Methylpiperazin-1-yl)methyl]piperidin-1-yl}-1,3,4-thiadiazol-2-amine
CID 58553173
5-(1-Piperidin-4-ylpiperidin-1-ium-1-yl)-1,3,4-thiadiazol-2-amine
CID 67053287
2-N-(1-tert-butylpiperidin-4-yl)-1,3,4-thiadiazole-2,5-diamine
CID 121256472

Frequently Asked Questions

What is the IUPAC name of 5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-amine (CID 6917209) is 5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-amine is Nc1nnc(N2CCC(N3CCCCC3)CC2)s1.
What is the InChIKey of 5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-amine?
The InChIKey is JIZQXTXPYMFBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5S/c13-11-14-15-12(18-11)17-8-4-10(5-9-17)16-6-2-1-3-7-16/h10H,1-9H2,(H2,13,14).
What are the key properties of 5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-amine?
5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-amine has a molecular weight of 267.40 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 6917209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).