1-(2-piperazin-1-yl-1,3-thiazol-5-yl)propan-1-one;hydrochloride

C10H16ClN3OS — CID 21100170

IUPAC1-(2-piperazin-1-yl-1,3-thiazol-5-yl)propan-1-one;hydrochloride
SMILESCCC(=O)c1cnc(N2CCNCC2)s1.Cl
InChIInChI=1S/C10H15N3OS.ClH/c1-2-8(14)9-7-12-10(15-9)13-5-3-11-4-6-13;/h7,11H,2-6H2,1H3;1H
InChIKeyXNAAXAAETBUNAW-UHFFFAOYSA-N
MW261.78 g/mol
LogP1.57
Rot. Bonds3

About 1-(2-piperazin-1-yl-1,3-thiazol-5-yl)propan-1-one;hydrochloride

1-(2-piperazin-1-yl-1,3-thiazol-5-yl)propan-1-one;hydrochloride (PubChem CID 21100170) has the molecular formula C10H16ClN3OS and a molecular weight of 261.78 g/mol. Its IUPAC name is 1-(2-piperazin-1-yl-1,3-thiazol-5-yl)propan-1-one;hydrochloride.

Molecular Properties

Compound Name1-(2-piperazin-1-yl-1,3-thiazol-5-yl)propan-1-one;hydrochloride
PubChem CID21100170
Molecular FormulaC10H16ClN3OS
Molecular Weight261.78 g/mol
Exact Mass261.07
IUPAC Name1-(2-piperazin-1-yl-1,3-thiazol-5-yl)propan-1-one;hydrochloride
SMILESCCC(=O)c1cnc(N2CCNCC2)s1.Cl
InChIInChI=1S/C10H15N3OS.ClH/c1-2-8(14)9-7-12-10(15-9)13-5-3-11-4-6-13;/h7,11H,2-6H2,1H3;1H
InChIKeyXNAAXAAETBUNAW-UHFFFAOYSA-N
XLogP1.57
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.78
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-piperazin-1-yl-1,3-thiazol-5-yl)propan-1-one;hydrochloride?
The IUPAC name of 1-(2-piperazin-1-yl-1,3-thiazol-5-yl)propan-1-one;hydrochloride (CID 21100170) is 1-(2-piperazin-1-yl-1,3-thiazol-5-yl)propan-1-one;hydrochloride.
What is the SMILES notation for 1-(2-piperazin-1-yl-1,3-thiazol-5-yl)propan-1-one;hydrochloride?
The canonical SMILES for 1-(2-piperazin-1-yl-1,3-thiazol-5-yl)propan-1-one;hydrochloride is CCC(=O)c1cnc(N2CCNCC2)s1.Cl.
What is the InChIKey of 1-(2-piperazin-1-yl-1,3-thiazol-5-yl)propan-1-one;hydrochloride?
The InChIKey is XNAAXAAETBUNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS.ClH/c1-2-8(14)9-7-12-10(15-9)13-5-3-11-4-6-13;/h7,11H,2-6H2,1H3;1H.
What are the key properties of 1-(2-piperazin-1-yl-1,3-thiazol-5-yl)propan-1-one;hydrochloride?
1-(2-piperazin-1-yl-1,3-thiazol-5-yl)propan-1-one;hydrochloride has a molecular weight of 261.78 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-piperazin-1-yl-1,3-thiazol-5-yl)propan-1-one;hydrochloride is sourced from PubChem (CID 21100170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).