4-[(5-cyclopropyl-2-methylpiperazin-1-yl)methyl]-3H-1,3-thiazol-2-one

C12H19N3OS — CID 106383650

IUPAC4-[(5-cyclopropyl-2-methylpiperazin-1-yl)methyl]-3H-1,3-thiazol-2-one
SMILESCC1CNC(C2CC2)CN1Cc1csc(=O)[nH]1
InChIInChI=1S/C12H19N3OS/c1-8-4-13-11(9-2-3-9)6-15(8)5-10-7-17-12(16)14-10/h7-9,11,13H,2-6H2,1H3,(H,14,16)
InChIKeyCEJQRQOSAHPISS-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.01
Rot. Bonds3

About 4-[(5-cyclopropyl-2-methylpiperazin-1-yl)methyl]-3H-1,3-thiazol-2-one

4-[(5-cyclopropyl-2-methylpiperazin-1-yl)methyl]-3H-1,3-thiazol-2-one (PubChem CID 106383650) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 4-[(5-cyclopropyl-2-methylpiperazin-1-yl)methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[(5-cyclopropyl-2-methylpiperazin-1-yl)methyl]-3H-1,3-thiazol-2-one
PubChem CID106383650
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name4-[(5-cyclopropyl-2-methylpiperazin-1-yl)methyl]-3H-1,3-thiazol-2-one
SMILESCC1CNC(C2CC2)CN1Cc1csc(=O)[nH]1
InChIInChI=1S/C12H19N3OS/c1-8-4-13-11(9-2-3-9)6-15(8)5-10-7-17-12(16)14-10/h7-9,11,13H,2-6H2,1H3,(H,14,16)
InChIKeyCEJQRQOSAHPISS-UHFFFAOYSA-N
XLogP1.01
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(5-cyclohexyl-2-methylpiperazin-1-yl)methyl]-3H-1,3-thiazol-2-one
CID 106383596
2-[(5-cyclopropyl-2-methylpiperazin-1-yl)methyl]-5-methylpyrazine
CID 64939610
5-cyclopropyl-2-methyl-1-(pyridin-4-ylmethyl)piperazine
CID 64860864
4-[(2-methyl-4-oxopiperidin-1-yl)methyl]-3H-1,3-thiazol-2-one
CID 106381567
5-cyclopropyl-2-methyl-1-[(4-propan-2-ylphenyl)methyl]piperazine
CID 64860473
2-[2-(5-cyclopropyl-2-methylpiperazin-1-yl)ethyl]-1,3-thiazole
CID 64942156
5-[(5-cyclopropyl-2-methylpiperazin-1-yl)methyl]-1,2-oxazole
CID 106421827
5-cyclopropyl-2-methyl-1-(naphthalen-1-ylmethyl)piperazine
CID 64860475
5-cyclopropyl-1-[(2,4-difluorophenyl)methyl]-2-methylpiperazine
CID 64859705
5-cyclopropyl-2-methyl-1-(2-methyl-2-thiophen-2-ylpropyl)piperazine
CID 80527617
5-cyclopropyl-2-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperazine
CID 64862206
2-[(5-cyclopropyl-2-methylpiperazin-1-yl)methyl]-5-ethyl-1,3-oxazole
CID 106376640

Frequently Asked Questions

What is the IUPAC name of 4-[(5-cyclopropyl-2-methylpiperazin-1-yl)methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[(5-cyclopropyl-2-methylpiperazin-1-yl)methyl]-3H-1,3-thiazol-2-one (CID 106383650) is 4-[(5-cyclopropyl-2-methylpiperazin-1-yl)methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[(5-cyclopropyl-2-methylpiperazin-1-yl)methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[(5-cyclopropyl-2-methylpiperazin-1-yl)methyl]-3H-1,3-thiazol-2-one is CC1CNC(C2CC2)CN1Cc1csc(=O)[nH]1.
What is the InChIKey of 4-[(5-cyclopropyl-2-methylpiperazin-1-yl)methyl]-3H-1,3-thiazol-2-one?
The InChIKey is CEJQRQOSAHPISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-8-4-13-11(9-2-3-9)6-15(8)5-10-7-17-12(16)14-10/h7-9,11,13H,2-6H2,1H3,(H,14,16).
What are the key properties of 4-[(5-cyclopropyl-2-methylpiperazin-1-yl)methyl]-3H-1,3-thiazol-2-one?
4-[(5-cyclopropyl-2-methylpiperazin-1-yl)methyl]-3H-1,3-thiazol-2-one has a molecular weight of 253.37 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-cyclopropyl-2-methylpiperazin-1-yl)methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106383650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).