2-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide

C15H25N5O2S — CID 6467924

IUPAC2-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
SMILESCCN1CCN(CC(=O)Nc2nc(C)c(C(=O)N(C)C)s2)CC1
InChIInChI=1S/C15H25N5O2S/c1-5-19-6-8-20(9-7-19)10-12(21)17-15-16-11(2)13(23-15)14(22)18(3)4/h5-10H2,1-4H3,(H,16,17,21)
InChIKeyQNPZGGRJEIUTBD-UHFFFAOYSA-N
MW339.47 g/mol
LogP0.73
Rot. Bonds5

About 2-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide

2-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide (PubChem CID 6467924) has the molecular formula C15H25N5O2S and a molecular weight of 339.47 g/mol. Its IUPAC name is 2-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
PubChem CID6467924
Molecular FormulaC15H25N5O2S
Molecular Weight339.47 g/mol
Exact Mass339.17
IUPAC Name2-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
SMILESCCN1CCN(CC(=O)Nc2nc(C)c(C(=O)N(C)C)s2)CC1
InChIInChI=1S/C15H25N5O2S/c1-5-19-6-8-20(9-7-19)10-12(21)17-15-16-11(2)13(23-15)14(22)18(3)4/h5-10H2,1-4H3,(H,16,17,21)
InChIKeyQNPZGGRJEIUTBD-UHFFFAOYSA-N
XLogP0.73
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.47
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide (CID 6467924) is 2-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide is CCN1CCN(CC(=O)Nc2nc(C)c(C(=O)N(C)C)s2)CC1.
What is the InChIKey of 2-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is QNPZGGRJEIUTBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O2S/c1-5-19-6-8-20(9-7-19)10-12(21)17-15-16-11(2)13(23-15)14(22)18(3)4/h5-10H2,1-4H3,(H,16,17,21).
What are the key properties of 2-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide?
2-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 339.47 g/mol, XLogP of 0.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 6467924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).