4-[5-[(cyclopropylamino)methyl]-1,3-thiazol-2-yl]piperazine-2,6-dione

C11H14N4O2S — CID 66062982

IUPAC4-[5-[(cyclopropylamino)methyl]-1,3-thiazol-2-yl]piperazine-2,6-dione
SMILESO=C1CN(c2ncc(CNC3CC3)s2)CC(=O)N1
InChIInChI=1S/C11H14N4O2S/c16-9-5-15(6-10(17)14-9)11-13-4-8(18-11)3-12-7-1-2-7/h4,7,12H,1-3,5-6H2,(H,14,16,17)
InChIKeyWTCROHJCLJTKEK-UHFFFAOYSA-N
MW266.33 g/mol
LogP-0.14
Rot. Bonds4

About 4-[5-[(cyclopropylamino)methyl]-1,3-thiazol-2-yl]piperazine-2,6-dione

4-[5-[(cyclopropylamino)methyl]-1,3-thiazol-2-yl]piperazine-2,6-dione (PubChem CID 66062982) has the molecular formula C11H14N4O2S and a molecular weight of 266.33 g/mol. Its IUPAC name is 4-[5-[(cyclopropylamino)methyl]-1,3-thiazol-2-yl]piperazine-2,6-dione.

Molecular Properties

Compound Name4-[5-[(cyclopropylamino)methyl]-1,3-thiazol-2-yl]piperazine-2,6-dione
PubChem CID66062982
Molecular FormulaC11H14N4O2S
Molecular Weight266.33 g/mol
Exact Mass266.08
IUPAC Name4-[5-[(cyclopropylamino)methyl]-1,3-thiazol-2-yl]piperazine-2,6-dione
SMILESO=C1CN(c2ncc(CNC3CC3)s2)CC(=O)N1
InChIInChI=1S/C11H14N4O2S/c16-9-5-15(6-10(17)14-9)11-13-4-8(18-11)3-12-7-1-2-7/h4,7,12H,1-3,5-6H2,(H,14,16,17)
InChIKeyWTCROHJCLJTKEK-UHFFFAOYSA-N
XLogP-0.14
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-[[2-(4,4-dimethylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 62931356
N-[(2-thiomorpholin-4-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine
CID 62751766
N-[[2-(3,4-dimethylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 79184432
4-[5-[(cyclopropylamino)methyl]-1,3-thiazol-2-yl]-3,3-dimethylpiperazin-2-one
CID 63605835
N-[[2-(4-ethylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 55113480
N-[[2-(3,3-dimethylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 55112409
N-[[2-(3-phenylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 62753549
4-[5-(methylaminomethyl)-1,3-thiazol-2-yl]piperazin-2-one
CID 62750903
N-[[2-(2-cyclopentylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 62755147
N-[[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82751675
N-[[2-(2,3,5-trimethylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114597283
4-[5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-yl]piperazin-2-one
CID 62750906

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(cyclopropylamino)methyl]-1,3-thiazol-2-yl]piperazine-2,6-dione?
The IUPAC name of 4-[5-[(cyclopropylamino)methyl]-1,3-thiazol-2-yl]piperazine-2,6-dione (CID 66062982) is 4-[5-[(cyclopropylamino)methyl]-1,3-thiazol-2-yl]piperazine-2,6-dione.
What is the SMILES notation for 4-[5-[(cyclopropylamino)methyl]-1,3-thiazol-2-yl]piperazine-2,6-dione?
The canonical SMILES for 4-[5-[(cyclopropylamino)methyl]-1,3-thiazol-2-yl]piperazine-2,6-dione is O=C1CN(c2ncc(CNC3CC3)s2)CC(=O)N1.
What is the InChIKey of 4-[5-[(cyclopropylamino)methyl]-1,3-thiazol-2-yl]piperazine-2,6-dione?
The InChIKey is WTCROHJCLJTKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S/c16-9-5-15(6-10(17)14-9)11-13-4-8(18-11)3-12-7-1-2-7/h4,7,12H,1-3,5-6H2,(H,14,16,17).
What are the key properties of 4-[5-[(cyclopropylamino)methyl]-1,3-thiazol-2-yl]piperazine-2,6-dione?
4-[5-[(cyclopropylamino)methyl]-1,3-thiazol-2-yl]piperazine-2,6-dione has a molecular weight of 266.33 g/mol, XLogP of -0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(cyclopropylamino)methyl]-1,3-thiazol-2-yl]piperazine-2,6-dione is sourced from PubChem (CID 66062982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).