3-(4-methylpiperazine-1-carbonyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide

C21H21N5O2S — CID 176676308

IUPAC3-(4-methylpiperazine-1-carbonyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
SMILESCN1CCN(C(=O)c2cccc(C(=O)Nc3nc(-c4ccccn4)cs3)c2)CC1
InChIInChI=1S/C21H21N5O2S/c1-25-9-11-26(12-10-25)20(28)16-6-4-5-15(13-16)19(27)24-21-23-18(14-29-21)17-7-2-3-8-22-17/h2-8,13-14H,9-12H2,1H3,(H,23,24,27)
InChIKeyVEEKOIUHWTYBJT-UHFFFAOYSA-N
MW407.50 g/mol
LogP2.85
Rot. Bonds4

About 3-(4-methylpiperazine-1-carbonyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide

3-(4-methylpiperazine-1-carbonyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide (PubChem CID 176676308) has the molecular formula C21H21N5O2S and a molecular weight of 407.50 g/mol. Its IUPAC name is 3-(4-methylpiperazine-1-carbonyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-(4-methylpiperazine-1-carbonyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
PubChem CID176676308
Molecular FormulaC21H21N5O2S
Molecular Weight407.50 g/mol
Exact Mass407.14
IUPAC Name3-(4-methylpiperazine-1-carbonyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
SMILESCN1CCN(C(=O)c2cccc(C(=O)Nc3nc(-c4ccccn4)cs3)c2)CC1
InChIInChI=1S/C21H21N5O2S/c1-25-9-11-26(12-10-25)20(28)16-6-4-5-15(13-16)19(27)24-21-23-18(14-29-21)17-7-2-3-8-22-17/h2-8,13-14H,9-12H2,1H3,(H,23,24,27)
InChIKeyVEEKOIUHWTYBJT-UHFFFAOYSA-N
XLogP2.85
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.50
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3-fluorobenzoyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 59486313
3-nitro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 4158043
(4-methylpiperazin-1-yl)-[3-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methanone
CID 109053532
3-[2-(dimethylamino)-2-oxoethoxy]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 87000563
2-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-dihydroindole-5-carboxamide
CID 108797962
2,6-difluoro-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 73348030
1-tert-butyl-2-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzimidazole-5-carboxamide
CID 167320182
3-(dipropylsulfamoyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 41163778
4-benzyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 4646220
N-(2,6-dimethylphenyl)-3-(4-methylpiperazine-1-carbonyl)benzamide
CID 109053559
N-[4-(2-benzamido-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]benzamide
CID 4294892
4-methoxy-1-methyl-6-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 91813993

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperazine-1-carbonyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3-(4-methylpiperazine-1-carbonyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide (CID 176676308) is 3-(4-methylpiperazine-1-carbonyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3-(4-methylpiperazine-1-carbonyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3-(4-methylpiperazine-1-carbonyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide is CN1CCN(C(=O)c2cccc(C(=O)Nc3nc(-c4ccccn4)cs3)c2)CC1.
What is the InChIKey of 3-(4-methylpiperazine-1-carbonyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
The InChIKey is VEEKOIUHWTYBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2S/c1-25-9-11-26(12-10-25)20(28)16-6-4-5-15(13-16)19(27)24-21-23-18(14-29-21)17-7-2-3-8-22-17/h2-8,13-14H,9-12H2,1H3,(H,23,24,27).
What are the key properties of 3-(4-methylpiperazine-1-carbonyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide?
3-(4-methylpiperazine-1-carbonyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide has a molecular weight of 407.50 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperazine-1-carbonyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 176676308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).