2-methyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one

C11H17N3OS — CID 53498834

IUPAC2-methyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one
SMILESCC(C)C(=O)N1CCN(c2nccs2)CC1
InChIInChI=1S/C11H17N3OS/c1-9(2)10(15)13-4-6-14(7-5-13)11-12-3-8-16-11/h3,8-9H,4-7H2,1-2H3
InChIKeyPDSMSBMEPRIVTM-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.45
Rot. Bonds2

About 2-methyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one

2-methyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one (PubChem CID 53498834) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 2-methyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one
PubChem CID53498834
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name2-methyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one
SMILESCC(C)C(=O)N1CCN(c2nccs2)CC1
InChIInChI=1S/C11H17N3OS/c1-9(2)10(15)13-4-6-14(7-5-13)11-12-3-8-16-11/h3,8-9H,4-7H2,1-2H3
InChIKeyPDSMSBMEPRIVTM-UHFFFAOYSA-N
XLogP1.45
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one (CID 53498834) is 2-methyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one is CC(C)C(=O)N1CCN(c2nccs2)CC1.
What is the InChIKey of 2-methyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one?
The InChIKey is PDSMSBMEPRIVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-9(2)10(15)13-4-6-14(7-5-13)11-12-3-8-16-11/h3,8-9H,4-7H2,1-2H3.
What are the key properties of 2-methyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one?
2-methyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one has a molecular weight of 239.34 g/mol, XLogP of 1.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 53498834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).