2-[(4-ethyl-1,3-thiazol-2-yl)amino]-1-piperazin-1-ylethanone

C11H18N4OS — CID 62961566

IUPAC2-[(4-ethyl-1,3-thiazol-2-yl)amino]-1-piperazin-1-ylethanone
SMILESCCc1csc(NCC(=O)N2CCNCC2)n1
InChIInChI=1S/C11H18N4OS/c1-2-9-8-17-11(14-9)13-7-10(16)15-5-3-12-4-6-15/h8,12H,2-7H2,1H3,(H,13,14)
InChIKeyPRJQOSTXJOXOMM-UHFFFAOYSA-N
MW254.36 g/mol
LogP0.55
Rot. Bonds4

About 2-[(4-ethyl-1,3-thiazol-2-yl)amino]-1-piperazin-1-ylethanone

2-[(4-ethyl-1,3-thiazol-2-yl)amino]-1-piperazin-1-ylethanone (PubChem CID 62961566) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is 2-[(4-ethyl-1,3-thiazol-2-yl)amino]-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-[(4-ethyl-1,3-thiazol-2-yl)amino]-1-piperazin-1-ylethanone
PubChem CID62961566
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC Name2-[(4-ethyl-1,3-thiazol-2-yl)amino]-1-piperazin-1-ylethanone
SMILESCCc1csc(NCC(=O)N2CCNCC2)n1
InChIInChI=1S/C11H18N4OS/c1-2-9-8-17-11(14-9)13-7-10(16)15-5-3-12-4-6-15/h8,12H,2-7H2,1H3,(H,13,14)
InChIKeyPRJQOSTXJOXOMM-UHFFFAOYSA-N
XLogP0.55
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 ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethyl-1,3-thiazol-2-yl)amino]-1-piperazin-1-ylethanone?
The IUPAC name of 2-[(4-ethyl-1,3-thiazol-2-yl)amino]-1-piperazin-1-ylethanone (CID 62961566) is 2-[(4-ethyl-1,3-thiazol-2-yl)amino]-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-[(4-ethyl-1,3-thiazol-2-yl)amino]-1-piperazin-1-ylethanone?
The canonical SMILES for 2-[(4-ethyl-1,3-thiazol-2-yl)amino]-1-piperazin-1-ylethanone is CCc1csc(NCC(=O)N2CCNCC2)n1.
What is the InChIKey of 2-[(4-ethyl-1,3-thiazol-2-yl)amino]-1-piperazin-1-ylethanone?
The InChIKey is PRJQOSTXJOXOMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS/c1-2-9-8-17-11(14-9)13-7-10(16)15-5-3-12-4-6-15/h8,12H,2-7H2,1H3,(H,13,14).
What are the key properties of 2-[(4-ethyl-1,3-thiazol-2-yl)amino]-1-piperazin-1-ylethanone?
2-[(4-ethyl-1,3-thiazol-2-yl)amino]-1-piperazin-1-ylethanone has a molecular weight of 254.36 g/mol, XLogP of 0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethyl-1,3-thiazol-2-yl)amino]-1-piperazin-1-ylethanone is sourced from PubChem (CID 62961566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).