N-(2-ethoxyphenyl)-3-oxo-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide

C16H18N4O3S — CID 134161271

IUPACN-(2-ethoxyphenyl)-3-oxo-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
SMILESCCOc1ccccc1NC(=O)N1CCN(c2nccs2)C(=O)C1
InChIInChI=1S/C16H18N4O3S/c1-2-23-13-6-4-3-5-12(13)18-15(22)19-8-9-20(14(21)11-19)16-17-7-10-24-16/h3-7,10H,2,8-9,11H2,1H3,(H,18,22)
InChIKeyHOMCIRODOHRSHE-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.42
Rot. Bonds4

About N-(2-ethoxyphenyl)-3-oxo-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide

N-(2-ethoxyphenyl)-3-oxo-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide (PubChem CID 134161271) has the molecular formula C16H18N4O3S and a molecular weight of 346.41 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-3-oxo-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-3-oxo-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
PubChem CID134161271
Molecular FormulaC16H18N4O3S
Molecular Weight346.41 g/mol
Exact Mass346.11
IUPAC NameN-(2-ethoxyphenyl)-3-oxo-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
SMILESCCOc1ccccc1NC(=O)N1CCN(c2nccs2)C(=O)C1
InChIInChI=1S/C16H18N4O3S/c1-2-23-13-6-4-3-5-12(13)18-15(22)19-8-9-20(14(21)11-19)16-17-7-10-24-16/h3-7,10H,2,8-9,11H2,1H3,(H,18,22)
InChIKeyHOMCIRODOHRSHE-UHFFFAOYSA-N
XLogP2.42
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-3-oxo-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide?
The IUPAC name of N-(2-ethoxyphenyl)-3-oxo-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide (CID 134161271) is N-(2-ethoxyphenyl)-3-oxo-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-3-oxo-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide?
The canonical SMILES for N-(2-ethoxyphenyl)-3-oxo-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide is CCOc1ccccc1NC(=O)N1CCN(c2nccs2)C(=O)C1.
What is the InChIKey of N-(2-ethoxyphenyl)-3-oxo-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide?
The InChIKey is HOMCIRODOHRSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3S/c1-2-23-13-6-4-3-5-12(13)18-15(22)19-8-9-20(14(21)11-19)16-17-7-10-24-16/h3-7,10H,2,8-9,11H2,1H3,(H,18,22).
What are the key properties of N-(2-ethoxyphenyl)-3-oxo-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide?
N-(2-ethoxyphenyl)-3-oxo-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide has a molecular weight of 346.41 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-3-oxo-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 134161271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).