4-(3,5-dimethoxybenzoyl)-N-(1,2-thiazol-4-yl)piperazine-1-carboxamide

C17H20N4O4S — CID 167970223

IUPAC4-(3,5-dimethoxybenzoyl)-N-(1,2-thiazol-4-yl)piperazine-1-carboxamide
SMILESCOc1cc(OC)cc(C(=O)N2CCN(C(=O)Nc3cnsc3)CC2)c1
InChIInChI=1S/C17H20N4O4S/c1-24-14-7-12(8-15(9-14)25-2)16(22)20-3-5-21(6-4-20)17(23)19-13-10-18-26-11-13/h7-11H,3-6H2,1-2H3,(H,19,23)
InChIKeyLUIVCQWFVCFZIQ-UHFFFAOYSA-N
MW376.44 g/mol
LogP2.15
Rot. Bonds4

About 4-(3,5-dimethoxybenzoyl)-N-(1,2-thiazol-4-yl)piperazine-1-carboxamide

4-(3,5-dimethoxybenzoyl)-N-(1,2-thiazol-4-yl)piperazine-1-carboxamide (PubChem CID 167970223) has the molecular formula C17H20N4O4S and a molecular weight of 376.44 g/mol. Its IUPAC name is 4-(3,5-dimethoxybenzoyl)-N-(1,2-thiazol-4-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3,5-dimethoxybenzoyl)-N-(1,2-thiazol-4-yl)piperazine-1-carboxamide
PubChem CID167970223
Molecular FormulaC17H20N4O4S
Molecular Weight376.44 g/mol
Exact Mass376.12
IUPAC Name4-(3,5-dimethoxybenzoyl)-N-(1,2-thiazol-4-yl)piperazine-1-carboxamide
SMILESCOc1cc(OC)cc(C(=O)N2CCN(C(=O)Nc3cnsc3)CC2)c1
InChIInChI=1S/C17H20N4O4S/c1-24-14-7-12(8-15(9-14)25-2)16(22)20-3-5-21(6-4-20)17(23)19-13-10-18-26-11-13/h7-11H,3-6H2,1-2H3,(H,19,23)
InChIKeyLUIVCQWFVCFZIQ-UHFFFAOYSA-N
XLogP2.15
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-acetylphenyl)-4-(3,5-dimethoxybenzoyl)piperazine-1-carboxamide
CID 55696947
4-(3,5-dimethoxybenzoyl)-N-propylpiperazine-1-carboxamide
CID 110365697
N-(3,5-dimethoxyphenyl)pyrrolidine-1-carboxamide
CID 47162141
2-[4-(3,5-dimethoxybenzoyl)piperazine-1-carbonyl]pyridine-4-carboxylic acid
CID 122055264
(3,5-dimethoxyphenyl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone
CID 18152981
1-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]propan-1-one
CID 32823717
N-(3,5-dimethoxyphenyl)-2,5-dihydropyrrole-1-carboxamide
CID 4994104
N-(3-benzamidophenyl)-4-(3-methoxybenzoyl)piperazine-1-carboxamide
CID 55747739
2-[4-(3,5-dimethoxybenzoyl)piperazine-1-carbonyl]cyclobutane-1-carboxylic acid
CID 120975160
N-(3,5-dimethoxyphenyl)-4-(2-hydroxyethyl)piperazine-1-carboxamide
CID 108869457
1-(3,5-dimethoxybenzoyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 46471788
[4-(3,5-dichlorophenyl)piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone
CID 113080341

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethoxybenzoyl)-N-(1,2-thiazol-4-yl)piperazine-1-carboxamide?
The IUPAC name of 4-(3,5-dimethoxybenzoyl)-N-(1,2-thiazol-4-yl)piperazine-1-carboxamide (CID 167970223) is 4-(3,5-dimethoxybenzoyl)-N-(1,2-thiazol-4-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(3,5-dimethoxybenzoyl)-N-(1,2-thiazol-4-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-(3,5-dimethoxybenzoyl)-N-(1,2-thiazol-4-yl)piperazine-1-carboxamide is COc1cc(OC)cc(C(=O)N2CCN(C(=O)Nc3cnsc3)CC2)c1.
What is the InChIKey of 4-(3,5-dimethoxybenzoyl)-N-(1,2-thiazol-4-yl)piperazine-1-carboxamide?
The InChIKey is LUIVCQWFVCFZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O4S/c1-24-14-7-12(8-15(9-14)25-2)16(22)20-3-5-21(6-4-20)17(23)19-13-10-18-26-11-13/h7-11H,3-6H2,1-2H3,(H,19,23).
What are the key properties of 4-(3,5-dimethoxybenzoyl)-N-(1,2-thiazol-4-yl)piperazine-1-carboxamide?
4-(3,5-dimethoxybenzoyl)-N-(1,2-thiazol-4-yl)piperazine-1-carboxamide has a molecular weight of 376.44 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethoxybenzoyl)-N-(1,2-thiazol-4-yl)piperazine-1-carboxamide is sourced from PubChem (CID 167970223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).