2-piperidin-4-yl-1,3,4-thiadiazole;hydrochloride

C7H12ClN3S — CID 146382371

IUPAC2-piperidin-4-yl-1,3,4-thiadiazole;hydrochloride
SMILESCl.c1nnc(C2CCNCC2)s1
InChIInChI=1S/C7H11N3S.ClH/c1-3-8-4-2-6(1)7-10-9-5-11-7;/h5-6,8H,1-4H2;1H
InChIKeyGAWQAFCVAPBUKQ-UHFFFAOYSA-N
MW205.71 g/mol
LogP1.43
Rot. Bonds1

About 2-piperidin-4-yl-1,3,4-thiadiazole;hydrochloride

2-piperidin-4-yl-1,3,4-thiadiazole;hydrochloride (PubChem CID 146382371) has the molecular formula C7H12ClN3S and a molecular weight of 205.71 g/mol. Its IUPAC name is 2-piperidin-4-yl-1,3,4-thiadiazole;hydrochloride.

Molecular Properties

Compound Name2-piperidin-4-yl-1,3,4-thiadiazole;hydrochloride
PubChem CID146382371
Molecular FormulaC7H12ClN3S
Molecular Weight205.71 g/mol
Exact Mass205.04
IUPAC Name2-piperidin-4-yl-1,3,4-thiadiazole;hydrochloride
SMILESCl.c1nnc(C2CCNCC2)s1
InChIInChI=1S/C7H11N3S.ClH/c1-3-8-4-2-6(1)7-10-9-5-11-7;/h5-6,8H,1-4H2;1H
InChIKeyGAWQAFCVAPBUKQ-UHFFFAOYSA-N
XLogP1.43
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.71
LogP ≤ 51.43
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-(1,3,4-Thiadiazol-2-yl)piperidine dihydrochloride
CID 146154966
3-(1,3,4-Thiadiazol-2-yl)piperidine hydrochloride
CID 154866063
4-(1,3,4-Thiadiazol-2-yl)piperidine
CID 57069814
2-Piperidin-4-yl-5-propan-2-yl-1,3,4-thiadiazole
CID 82470870
3-(1,3,4-Thiadiazol-2-yl)piperidine
CID 82653095
2-Bromo-5-(4-piperidyl)-1,3,4-thiadiazole
CID 83900275
3-(5-Methyl-1,3,4-thiadiazol-2-yl)piperidine hydrochloride
CID 91812493
2-(1-Methylpiperidin-4-yl)-1,3,4-thiadiazole
CID 153277191
4-(5-Cyclopropyl-1,3,4-thiadiazol-2-yl)piperidine
CID 33680275
2-Methyl-5-(piperidin-4-ylmethylsulfanyl)-1,3,4-thiadiazole
CID 46741387
4-{2-[(5-Methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl}piperidine hydrochloride
CID 72716658

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-yl-1,3,4-thiadiazole;hydrochloride?
The IUPAC name of 2-piperidin-4-yl-1,3,4-thiadiazole;hydrochloride (CID 146382371) is 2-piperidin-4-yl-1,3,4-thiadiazole;hydrochloride.
What is the SMILES notation for 2-piperidin-4-yl-1,3,4-thiadiazole;hydrochloride?
The canonical SMILES for 2-piperidin-4-yl-1,3,4-thiadiazole;hydrochloride is Cl.c1nnc(C2CCNCC2)s1.
What is the InChIKey of 2-piperidin-4-yl-1,3,4-thiadiazole;hydrochloride?
The InChIKey is GAWQAFCVAPBUKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3S.ClH/c1-3-8-4-2-6(1)7-10-9-5-11-7;/h5-6,8H,1-4H2;1H.
What are the key properties of 2-piperidin-4-yl-1,3,4-thiadiazole;hydrochloride?
2-piperidin-4-yl-1,3,4-thiadiazole;hydrochloride has a molecular weight of 205.71 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-yl-1,3,4-thiadiazole;hydrochloride is sourced from PubChem (CID 146382371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).