2-(4-ethylpiperazin-1-yl)-N-methyl-1,3-thiazole-4-carboxamide

C11H18N4OS — CID 53015183

IUPAC2-(4-ethylpiperazin-1-yl)-N-methyl-1,3-thiazole-4-carboxamide
SMILESCCN1CCN(c2nc(C(=O)NC)cs2)CC1
InChIInChI=1S/C11H18N4OS/c1-3-14-4-6-15(7-5-14)11-13-9(8-17-11)10(16)12-2/h8H,3-7H2,1-2H3,(H,12,16)
InChIKeyHAQZYILCBKAXRN-UHFFFAOYSA-N
MW254.36 g/mol
LogP0.64
Rot. Bonds3

About 2-(4-ethylpiperazin-1-yl)-N-methyl-1,3-thiazole-4-carboxamide

2-(4-ethylpiperazin-1-yl)-N-methyl-1,3-thiazole-4-carboxamide (PubChem CID 53015183) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is 2-(4-ethylpiperazin-1-yl)-N-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-ethylpiperazin-1-yl)-N-methyl-1,3-thiazole-4-carboxamide
PubChem CID53015183
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC Name2-(4-ethylpiperazin-1-yl)-N-methyl-1,3-thiazole-4-carboxamide
SMILESCCN1CCN(c2nc(C(=O)NC)cs2)CC1
InChIInChI=1S/C11H18N4OS/c1-3-14-4-6-15(7-5-14)11-13-9(8-17-11)10(16)12-2/h8H,3-7H2,1-2H3,(H,12,16)
InChIKeyHAQZYILCBKAXRN-UHFFFAOYSA-N
XLogP0.64
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperazin-1-yl)-N-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(4-ethylpiperazin-1-yl)-N-methyl-1,3-thiazole-4-carboxamide (CID 53015183) is 2-(4-ethylpiperazin-1-yl)-N-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(4-ethylpiperazin-1-yl)-N-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(4-ethylpiperazin-1-yl)-N-methyl-1,3-thiazole-4-carboxamide is CCN1CCN(c2nc(C(=O)NC)cs2)CC1.
What is the InChIKey of 2-(4-ethylpiperazin-1-yl)-N-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is HAQZYILCBKAXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS/c1-3-14-4-6-15(7-5-14)11-13-9(8-17-11)10(16)12-2/h8H,3-7H2,1-2H3,(H,12,16).
What are the key properties of 2-(4-ethylpiperazin-1-yl)-N-methyl-1,3-thiazole-4-carboxamide?
2-(4-ethylpiperazin-1-yl)-N-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 254.36 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperazin-1-yl)-N-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 53015183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).