4-[5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-yl]piperazin-2-one

C11H18N4OS — CID 62750906

IUPAC4-[5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-yl]piperazin-2-one
SMILESCC(C)NCc1cnc(N2CCNC(=O)C2)s1
InChIInChI=1S/C11H18N4OS/c1-8(2)13-5-9-6-14-11(17-9)15-4-3-12-10(16)7-15/h6,8,13H,3-5,7H2,1-2H3,(H,12,16)
InChIKeyZNMUTMLCUJMVDC-UHFFFAOYSA-N
MW254.36 g/mol
LogP0.58
Rot. Bonds4

About 4-[5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-yl]piperazin-2-one

4-[5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-yl]piperazin-2-one (PubChem CID 62750906) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is 4-[5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-yl]piperazin-2-one.

Molecular Properties

Compound Name4-[5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-yl]piperazin-2-one
PubChem CID62750906
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC Name4-[5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-yl]piperazin-2-one
SMILESCC(C)NCc1cnc(N2CCNC(=O)C2)s1
InChIInChI=1S/C11H18N4OS/c1-8(2)13-5-9-6-14-11(17-9)15-4-3-12-10(16)7-15/h6,8,13H,3-5,7H2,1-2H3,(H,12,16)
InChIKeyZNMUTMLCUJMVDC-UHFFFAOYSA-N
XLogP0.58
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-yl]piperazin-2-one?
The IUPAC name of 4-[5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-yl]piperazin-2-one (CID 62750906) is 4-[5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-yl]piperazin-2-one.
What is the SMILES notation for 4-[5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-yl]piperazin-2-one?
The canonical SMILES for 4-[5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-yl]piperazin-2-one is CC(C)NCc1cnc(N2CCNC(=O)C2)s1.
What is the InChIKey of 4-[5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-yl]piperazin-2-one?
The InChIKey is ZNMUTMLCUJMVDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS/c1-8(2)13-5-9-6-14-11(17-9)15-4-3-12-10(16)7-15/h6,8,13H,3-5,7H2,1-2H3,(H,12,16).
What are the key properties of 4-[5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-yl]piperazin-2-one?
4-[5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-yl]piperazin-2-one has a molecular weight of 254.36 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-yl]piperazin-2-one is sourced from PubChem (CID 62750906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).