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

C12H19N3OS — CID 60719037

IUPAC2,2-dimethyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one
SMILESCC(C)(C)C(=O)N1CCN(c2nccs2)CC1
InChIInChI=1S/C12H19N3OS/c1-12(2,3)10(16)14-5-7-15(8-6-14)11-13-4-9-17-11/h4,9H,5-8H2,1-3H3
InChIKeyQUURAUNLICALSN-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.84
Rot. Bonds1

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

2,2-dimethyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one (PubChem CID 60719037) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 2,2-dimethyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one
PubChem CID60719037
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name2,2-dimethyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one
SMILESCC(C)(C)C(=O)N1CCN(c2nccs2)CC1
InChIInChI=1S/C12H19N3OS/c1-12(2,3)10(16)14-5-7-15(8-6-14)11-13-4-9-17-11/h4,9H,5-8H2,1-3H3
InChIKeyQUURAUNLICALSN-UHFFFAOYSA-N
XLogP1.84
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one (CID 60719037) is 2,2-dimethyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one is CC(C)(C)C(=O)N1CCN(c2nccs2)CC1.
What is the InChIKey of 2,2-dimethyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one?
The InChIKey is QUURAUNLICALSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-12(2,3)10(16)14-5-7-15(8-6-14)11-13-4-9-17-11/h4,9H,5-8H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one?
2,2-dimethyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one has a molecular weight of 253.37 g/mol, XLogP of 1.84, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 60719037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).