4-piperazin-1-yl-N-pyrimidin-2-yl-1,2,5-thiadiazol-3-amine;hydrochloride

C10H14ClN7S — CID 175605799

IUPAC4-piperazin-1-yl-N-pyrimidin-2-yl-1,2,5-thiadiazol-3-amine;hydrochloride
SMILESCl.c1cnc(Nc2nsnc2N2CCNCC2)nc1
InChIInChI=1S/C10H13N7S.ClH/c1-2-12-10(13-3-1)14-8-9(16-18-15-8)17-6-4-11-5-7-17;/h1-3,11H,4-7H2,(H,12,13,14,15);1H
InChIKeyMQODCDLGWMCBSJ-UHFFFAOYSA-N
MW299.79 g/mol
LogP0.90
Rot. Bonds3

About 4-piperazin-1-yl-N-pyrimidin-2-yl-1,2,5-thiadiazol-3-amine;hydrochloride

4-piperazin-1-yl-N-pyrimidin-2-yl-1,2,5-thiadiazol-3-amine;hydrochloride (PubChem CID 175605799) has the molecular formula C10H14ClN7S and a molecular weight of 299.79 g/mol. Its IUPAC name is 4-piperazin-1-yl-N-pyrimidin-2-yl-1,2,5-thiadiazol-3-amine;hydrochloride.

Molecular Properties

Compound Name4-piperazin-1-yl-N-pyrimidin-2-yl-1,2,5-thiadiazol-3-amine;hydrochloride
PubChem CID175605799
Molecular FormulaC10H14ClN7S
Molecular Weight299.79 g/mol
Exact Mass299.07
IUPAC Name4-piperazin-1-yl-N-pyrimidin-2-yl-1,2,5-thiadiazol-3-amine;hydrochloride
SMILESCl.c1cnc(Nc2nsnc2N2CCNCC2)nc1
InChIInChI=1S/C10H13N7S.ClH/c1-2-12-10(13-3-1)14-8-9(16-18-15-8)17-6-4-11-5-7-17;/h1-3,11H,4-7H2,(H,12,13,14,15);1H
InChIKeyMQODCDLGWMCBSJ-UHFFFAOYSA-N
XLogP0.90
TPSA78.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.79
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-piperazin-1-yl-N-pyrimidin-2-yl-1,2,5-thiadiazol-3-amine;hydrochloride?
The IUPAC name of 4-piperazin-1-yl-N-pyrimidin-2-yl-1,2,5-thiadiazol-3-amine;hydrochloride (CID 175605799) is 4-piperazin-1-yl-N-pyrimidin-2-yl-1,2,5-thiadiazol-3-amine;hydrochloride.
What is the SMILES notation for 4-piperazin-1-yl-N-pyrimidin-2-yl-1,2,5-thiadiazol-3-amine;hydrochloride?
The canonical SMILES for 4-piperazin-1-yl-N-pyrimidin-2-yl-1,2,5-thiadiazol-3-amine;hydrochloride is Cl.c1cnc(Nc2nsnc2N2CCNCC2)nc1.
What is the InChIKey of 4-piperazin-1-yl-N-pyrimidin-2-yl-1,2,5-thiadiazol-3-amine;hydrochloride?
The InChIKey is MQODCDLGWMCBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N7S.ClH/c1-2-12-10(13-3-1)14-8-9(16-18-15-8)17-6-4-11-5-7-17;/h1-3,11H,4-7H2,(H,12,13,14,15);1H.
What are the key properties of 4-piperazin-1-yl-N-pyrimidin-2-yl-1,2,5-thiadiazol-3-amine;hydrochloride?
4-piperazin-1-yl-N-pyrimidin-2-yl-1,2,5-thiadiazol-3-amine;hydrochloride has a molecular weight of 299.79 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperazin-1-yl-N-pyrimidin-2-yl-1,2,5-thiadiazol-3-amine;hydrochloride is sourced from PubChem (CID 175605799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).