4-(2-phenylethyl)-1-(1,3-thiazole-4-carbonyl)piperazine-2-carboxamide

C17H20N4O2S — CID 175658374

IUPAC4-(2-phenylethyl)-1-(1,3-thiazole-4-carbonyl)piperazine-2-carboxamide
SMILESNC(=O)C1CN(CCc2ccccc2)CCN1C(=O)c1cscn1
InChIInChI=1S/C17H20N4O2S/c18-16(22)15-10-20(7-6-13-4-2-1-3-5-13)8-9-21(15)17(23)14-11-24-12-19-14/h1-5,11-12,15H,6-10H2,(H2,18,22)
InChIKeyJHRNVWUZFLOHEO-UHFFFAOYSA-N
MW344.44 g/mol
LogP1.00
Rot. Bonds5

About 4-(2-phenylethyl)-1-(1,3-thiazole-4-carbonyl)piperazine-2-carboxamide

4-(2-phenylethyl)-1-(1,3-thiazole-4-carbonyl)piperazine-2-carboxamide (PubChem CID 175658374) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is 4-(2-phenylethyl)-1-(1,3-thiazole-4-carbonyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name4-(2-phenylethyl)-1-(1,3-thiazole-4-carbonyl)piperazine-2-carboxamide
PubChem CID175658374
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC Name4-(2-phenylethyl)-1-(1,3-thiazole-4-carbonyl)piperazine-2-carboxamide
SMILESNC(=O)C1CN(CCc2ccccc2)CCN1C(=O)c1cscn1
InChIInChI=1S/C17H20N4O2S/c18-16(22)15-10-20(7-6-13-4-2-1-3-5-13)8-9-21(15)17(23)14-11-24-12-19-14/h1-5,11-12,15H,6-10H2,(H2,18,22)
InChIKeyJHRNVWUZFLOHEO-UHFFFAOYSA-N
XLogP1.00
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylethyl)-1-(1,3-thiazole-4-carbonyl)piperazine-2-carboxamide?
The IUPAC name of 4-(2-phenylethyl)-1-(1,3-thiazole-4-carbonyl)piperazine-2-carboxamide (CID 175658374) is 4-(2-phenylethyl)-1-(1,3-thiazole-4-carbonyl)piperazine-2-carboxamide.
What is the SMILES notation for 4-(2-phenylethyl)-1-(1,3-thiazole-4-carbonyl)piperazine-2-carboxamide?
The canonical SMILES for 4-(2-phenylethyl)-1-(1,3-thiazole-4-carbonyl)piperazine-2-carboxamide is NC(=O)C1CN(CCc2ccccc2)CCN1C(=O)c1cscn1.
What is the InChIKey of 4-(2-phenylethyl)-1-(1,3-thiazole-4-carbonyl)piperazine-2-carboxamide?
The InChIKey is JHRNVWUZFLOHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S/c18-16(22)15-10-20(7-6-13-4-2-1-3-5-13)8-9-21(15)17(23)14-11-24-12-19-14/h1-5,11-12,15H,6-10H2,(H2,18,22).
What are the key properties of 4-(2-phenylethyl)-1-(1,3-thiazole-4-carbonyl)piperazine-2-carboxamide?
4-(2-phenylethyl)-1-(1,3-thiazole-4-carbonyl)piperazine-2-carboxamide has a molecular weight of 344.44 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylethyl)-1-(1,3-thiazole-4-carbonyl)piperazine-2-carboxamide is sourced from PubChem (CID 175658374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).