2-[4-[2-(2,4-dichloroanilino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide

C21H21Cl2N5O3S — CID 42876966

IUPAC2-[4-[2-(2,4-dichloroanilino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CN1CCN(C(=O)c2csc(Nc3ccc(Cl)cc3Cl)n2)CC1)NCc1ccco1
InChIInChI=1S/C21H21Cl2N5O3S/c22-14-3-4-17(16(23)10-14)25-21-26-18(13-32-21)20(30)28-7-5-27(6-8-28)12-19(29)24-11-15-2-1-9-31-15/h1-4,9-10,13H,5-8,11-12H2,(H,24,29)(H,25,26)
InChIKeyLDWIEEDVAVJWSZ-UHFFFAOYSA-N
MW494.40 g/mol
LogP3.86
Rot. Bonds7

About 2-[4-[2-(2,4-dichloroanilino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide

2-[4-[2-(2,4-dichloroanilino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide (PubChem CID 42876966) has the molecular formula C21H21Cl2N5O3S and a molecular weight of 494.40 g/mol. Its IUPAC name is 2-[4-[2-(2,4-dichloroanilino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-[2-(2,4-dichloroanilino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide
PubChem CID42876966
Molecular FormulaC21H21Cl2N5O3S
Molecular Weight494.40 g/mol
Exact Mass493.07
IUPAC Name2-[4-[2-(2,4-dichloroanilino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(CN1CCN(C(=O)c2csc(Nc3ccc(Cl)cc3Cl)n2)CC1)NCc1ccco1
InChIInChI=1S/C21H21Cl2N5O3S/c22-14-3-4-17(16(23)10-14)25-21-26-18(13-32-21)20(30)28-7-5-27(6-8-28)12-19(29)24-11-15-2-1-9-31-15/h1-4,9-10,13H,5-8,11-12H2,(H,24,29)(H,25,26)
InChIKeyLDWIEEDVAVJWSZ-UHFFFAOYSA-N
XLogP3.86
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.40
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-[2-(cyclohexylamino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 42876723
2-[4-[2-(2-chloroanilino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide
CID 46169370
N-benzyl-2-(2-chloroanilino)-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-1,3-thiazole-4-carboxamide
CID 46136575
2-[4-[2-(2-fluoroanilino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide
CID 46079107
2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 9434241
N-benzyl-2-[4-[2-(ethylamino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]acetamide
CID 42876814
2-(2,3-dichloroanilino)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 83273966
2-[4-[2-(3-chloroanilino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 42876933
2-(5-chloro-2-methylanilino)-N-(furan-2-ylmethyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-1,3-thiazole-4-carboxamide
CID 42814213
1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-[4-[2-(2-chloroanilino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]ethanone
CID 42875371
N-(furan-2-ylmethyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide
CID 9102139
N-(furan-2-ylmethyl)-2-[4-(3-methoxybenzoyl)piperazin-1-yl]acetamide
CID 35227342

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2,4-dichloroanilino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[4-[2-(2,4-dichloroanilino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide (CID 42876966) is 2-[4-[2-(2,4-dichloroanilino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[4-[2-(2,4-dichloroanilino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[4-[2-(2,4-dichloroanilino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide is O=C(CN1CCN(C(=O)c2csc(Nc3ccc(Cl)cc3Cl)n2)CC1)NCc1ccco1.
What is the InChIKey of 2-[4-[2-(2,4-dichloroanilino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is LDWIEEDVAVJWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21Cl2N5O3S/c22-14-3-4-17(16(23)10-14)25-21-26-18(13-32-21)20(30)28-7-5-27(6-8-28)12-19(29)24-11-15-2-1-9-31-15/h1-4,9-10,13H,5-8,11-12H2,(H,24,29)(H,25,26).
What are the key properties of 2-[4-[2-(2,4-dichloroanilino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide?
2-[4-[2-(2,4-dichloroanilino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 494.40 g/mol, XLogP of 3.86, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2,4-dichloroanilino)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 42876966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).