1-[4-[2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-2-pyridin-2-ylethanone

C19H17ClN4O2S2 — CID 56520747

IUPAC1-[4-[2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-2-pyridin-2-ylethanone
SMILESO=C(Cc1ccccn1)N1CCN(C(=O)c2csc(-c3ccc(Cl)s3)n2)CC1
InChIInChI=1S/C19H17ClN4O2S2/c20-16-5-4-15(28-16)18-22-14(12-27-18)19(26)24-9-7-23(8-10-24)17(25)11-13-3-1-2-6-21-13/h1-6,12H,7-11H2
InChIKeyBKXJBUPAYAMHLC-UHFFFAOYSA-N
MW432.96 g/mol
LogP3.45
Rot. Bonds4

About 1-[4-[2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-2-pyridin-2-ylethanone

1-[4-[2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-2-pyridin-2-ylethanone (PubChem CID 56520747) has the molecular formula C19H17ClN4O2S2 and a molecular weight of 432.96 g/mol. Its IUPAC name is 1-[4-[2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-2-pyridin-2-ylethanone.

Molecular Properties

Compound Name1-[4-[2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-2-pyridin-2-ylethanone
PubChem CID56520747
Molecular FormulaC19H17ClN4O2S2
Molecular Weight432.96 g/mol
Exact Mass432.05
IUPAC Name1-[4-[2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-2-pyridin-2-ylethanone
SMILESO=C(Cc1ccccn1)N1CCN(C(=O)c2csc(-c3ccc(Cl)s3)n2)CC1
InChIInChI=1S/C19H17ClN4O2S2/c20-16-5-4-15(28-16)18-22-14(12-27-18)19(26)24-9-7-23(8-10-24)17(25)11-13-3-1-2-6-21-13/h1-6,12H,7-11H2
InChIKeyBKXJBUPAYAMHLC-UHFFFAOYSA-N
XLogP3.45
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.96
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[4-[2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-2-pyridin-2-ylethanone with MolForge

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Related Compounds

1-[4-[2-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-2-pyridin-2-ylethanone
CID 56521519
2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-1-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone
CID 167908848
1-[4-[1-(2-chlorophenyl)pyrazole-3-carbonyl]piperazin-1-yl]-2-pyridin-2-ylethanone
CID 56521395
[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-(3-pyrazol-1-ylpyrrolidin-1-yl)methanone
CID 139004678
2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-1-[(2R)-2-methylmorpholin-4-yl]ethanone
CID 94676087
[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;dihydrochloride
CID 119492881
1-[2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119256568
2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-1-(3-hydroxypiperidin-1-yl)ethanone
CID 110904420
2-pyridin-2-yl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 110696951
2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]-1-phenylethanone
CID 62366878
1-[4-(4-chlorophenyl)piperazin-1-yl]-2-pyridin-2-ylethanone
CID 143237953
(2R)-4-[2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetyl]morpholine-2-carboxylic acid
CID 124704011

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-2-pyridin-2-ylethanone?
The IUPAC name of 1-[4-[2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-2-pyridin-2-ylethanone (CID 56520747) is 1-[4-[2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-2-pyridin-2-ylethanone.
What is the SMILES notation for 1-[4-[2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-2-pyridin-2-ylethanone?
The canonical SMILES for 1-[4-[2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-2-pyridin-2-ylethanone is O=C(Cc1ccccn1)N1CCN(C(=O)c2csc(-c3ccc(Cl)s3)n2)CC1.
What is the InChIKey of 1-[4-[2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-2-pyridin-2-ylethanone?
The InChIKey is BKXJBUPAYAMHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O2S2/c20-16-5-4-15(28-16)18-22-14(12-27-18)19(26)24-9-7-23(8-10-24)17(25)11-13-3-1-2-6-21-13/h1-6,12H,7-11H2.
What are the key properties of 1-[4-[2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-2-pyridin-2-ylethanone?
1-[4-[2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-2-pyridin-2-ylethanone has a molecular weight of 432.96 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-2-pyridin-2-ylethanone is sourced from PubChem (CID 56520747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).