1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-3-thiophen-2-ylpropan-1-one

C16H21N3OS2 — CID 110710972

IUPAC1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-3-thiophen-2-ylpropan-1-one
SMILESCc1nc(N2CCN(C(=O)CCc3cccs3)CC2)sc1C
InChIInChI=1S/C16H21N3OS2/c1-12-13(2)22-16(17-12)19-9-7-18(8-10-19)15(20)6-5-14-4-3-11-21-14/h3-4,11H,5-10H2,1-2H3
InChIKeyYTKWNCBERQSMFE-UHFFFAOYSA-N
MW335.50 g/mol
LogP3.10
Rot. Bonds4

About 1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-3-thiophen-2-ylpropan-1-one

1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-3-thiophen-2-ylpropan-1-one (PubChem CID 110710972) has the molecular formula C16H21N3OS2 and a molecular weight of 335.50 g/mol. Its IUPAC name is 1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-3-thiophen-2-ylpropan-1-one.

Molecular Properties

Compound Name1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-3-thiophen-2-ylpropan-1-one
PubChem CID110710972
Molecular FormulaC16H21N3OS2
Molecular Weight335.50 g/mol
Exact Mass335.11
IUPAC Name1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-3-thiophen-2-ylpropan-1-one
SMILESCc1nc(N2CCN(C(=O)CCc3cccs3)CC2)sc1C
InChIInChI=1S/C16H21N3OS2/c1-12-13(2)22-16(17-12)19-9-7-18(8-10-19)15(20)6-5-14-4-3-11-21-14/h3-4,11H,5-10H2,1-2H3
InChIKeyYTKWNCBERQSMFE-UHFFFAOYSA-N
XLogP3.10
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.50
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-3-thiophen-2-ylpropan-1-one with MolForge

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Related Compounds

1-(4-pyridin-2-ylpiperazin-1-yl)-3-thiophen-2-ylpropan-1-one
CID 9119477
1-[4-(2-methyl-3H-benzimidazol-5-yl)piperazin-1-yl]-3-thiophen-2-ylpropan-1-one
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1-[4-(2-oxopropyl)piperazin-1-yl]-3-thiophen-2-ylpropan-1-one
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1-(4-hydroxypiperidin-1-yl)-3-thiophen-2-ylpropan-1-one
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1-(1,3-oxazolidin-3-yl)-3-thiophen-2-ylpropan-1-one
CID 110740009
1-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-2-thiophen-2-ylethanone
CID 70787649
1-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-3-thiophen-2-ylpropan-1-one
CID 70756746
1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-thiophen-2-ylpropan-1-one
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1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-thiophen-2-ylbutan-1-one
CID 78769597
1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 78788636
1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-1-yl]-3-thiophen-2-ylpropan-1-one
CID 9117209
3-(3-fluorophenyl)-1-[4-(3-thiophen-2-ylpropanoyl)piperazin-1-yl]propan-1-one
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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-3-thiophen-2-ylpropan-1-one?
The IUPAC name of 1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-3-thiophen-2-ylpropan-1-one (CID 110710972) is 1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-3-thiophen-2-ylpropan-1-one.
What is the SMILES notation for 1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-3-thiophen-2-ylpropan-1-one?
The canonical SMILES for 1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-3-thiophen-2-ylpropan-1-one is Cc1nc(N2CCN(C(=O)CCc3cccs3)CC2)sc1C.
What is the InChIKey of 1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-3-thiophen-2-ylpropan-1-one?
The InChIKey is YTKWNCBERQSMFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS2/c1-12-13(2)22-16(17-12)19-9-7-18(8-10-19)15(20)6-5-14-4-3-11-21-14/h3-4,11H,5-10H2,1-2H3.
What are the key properties of 1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-3-thiophen-2-ylpropan-1-one?
1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-3-thiophen-2-ylpropan-1-one has a molecular weight of 335.50 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-3-thiophen-2-ylpropan-1-one is sourced from PubChem (CID 110710972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).