2,2-dimethyl-N-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]propanamide

C15H24N4O2S — CID 29173285

IUPAC2,2-dimethyl-N-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]propanamide
SMILESCN1CCN(C(=O)Cc2csc(NC(=O)C(C)(C)C)n2)CC1
InChIInChI=1S/C15H24N4O2S/c1-15(2,3)13(21)17-14-16-11(10-22-14)9-12(20)19-7-5-18(4)6-8-19/h10H,5-9H2,1-4H3,(H,16,17,21)
InChIKeyYQABPBODPJZWTC-UHFFFAOYSA-N
MW324.45 g/mol
LogP1.44
Rot. Bonds3

About 2,2-dimethyl-N-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]propanamide

2,2-dimethyl-N-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]propanamide (PubChem CID 29173285) has the molecular formula C15H24N4O2S and a molecular weight of 324.45 g/mol. Its IUPAC name is 2,2-dimethyl-N-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]propanamide
PubChem CID29173285
Molecular FormulaC15H24N4O2S
Molecular Weight324.45 g/mol
Exact Mass324.16
IUPAC Name2,2-dimethyl-N-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]propanamide
SMILESCN1CCN(C(=O)Cc2csc(NC(=O)C(C)(C)C)n2)CC1
InChIInChI=1S/C15H24N4O2S/c1-15(2,3)13(21)17-14-16-11(10-22-14)9-12(20)19-7-5-18(4)6-8-19/h10H,5-9H2,1-4H3,(H,16,17,21)
InChIKeyYQABPBODPJZWTC-UHFFFAOYSA-N
XLogP1.44
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]propanamide (CID 29173285) is 2,2-dimethyl-N-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]propanamide is CN1CCN(C(=O)Cc2csc(NC(=O)C(C)(C)C)n2)CC1.
What is the InChIKey of 2,2-dimethyl-N-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]propanamide?
The InChIKey is YQABPBODPJZWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2S/c1-15(2,3)13(21)17-14-16-11(10-22-14)9-12(20)19-7-5-18(4)6-8-19/h10H,5-9H2,1-4H3,(H,16,17,21).
What are the key properties of 2,2-dimethyl-N-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]propanamide?
2,2-dimethyl-N-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]propanamide has a molecular weight of 324.45 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 29173285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).