[2-(4-chloro-N-(2,4-dichlorobenzoyl)anilino)-1,3-thiazol-4-yl] N-(1-ethylpiperidin-3-yl)carbamate

C24H23Cl3N4O3S — CID 69287747

IUPAC[2-(4-chloro-N-(2,4-dichlorobenzoyl)anilino)-1,3-thiazol-4-yl] N-(1-ethylpiperidin-3-yl)carbamate
SMILESCCN1CCCC(NC(=O)Oc2csc(N(C(=O)c3ccc(Cl)cc3Cl)c3ccc(Cl)cc3)n2)C1
InChIInChI=1S/C24H23Cl3N4O3S/c1-2-30-11-3-4-17(13-30)28-24(33)34-21-14-35-23(29-21)31(18-8-5-15(25)6-9-18)22(32)19-10-7-16(26)12-20(19)27/h5-10,12,14,17H,2-4,11,13H2,1H3,(H,28,33)
InChIKeyVMFGZSJCZSSQKN-UHFFFAOYSA-N
MW553.90 g/mol
LogP6.65
Rot. Bonds6

About [2-(4-chloro-N-(2,4-dichlorobenzoyl)anilino)-1,3-thiazol-4-yl] N-(1-ethylpiperidin-3-yl)carbamate

[2-(4-chloro-N-(2,4-dichlorobenzoyl)anilino)-1,3-thiazol-4-yl] N-(1-ethylpiperidin-3-yl)carbamate (PubChem CID 69287747) has the molecular formula C24H23Cl3N4O3S and a molecular weight of 553.90 g/mol. Its IUPAC name is [2-(4-chloro-N-(2,4-dichlorobenzoyl)anilino)-1,3-thiazol-4-yl] N-(1-ethylpiperidin-3-yl)carbamate.

Molecular Properties

Compound Name[2-(4-chloro-N-(2,4-dichlorobenzoyl)anilino)-1,3-thiazol-4-yl] N-(1-ethylpiperidin-3-yl)carbamate
PubChem CID69287747
Molecular FormulaC24H23Cl3N4O3S
Molecular Weight553.90 g/mol
Exact Mass552.06
IUPAC Name[2-(4-chloro-N-(2,4-dichlorobenzoyl)anilino)-1,3-thiazol-4-yl] N-(1-ethylpiperidin-3-yl)carbamate
SMILESCCN1CCCC(NC(=O)Oc2csc(N(C(=O)c3ccc(Cl)cc3Cl)c3ccc(Cl)cc3)n2)C1
InChIInChI=1S/C24H23Cl3N4O3S/c1-2-30-11-3-4-17(13-30)28-24(33)34-21-14-35-23(29-21)31(18-8-5-15(25)6-9-18)22(32)19-10-7-16(26)12-20(19)27/h5-10,12,14,17H,2-4,11,13H2,1H3,(H,28,33)
InChIKeyVMFGZSJCZSSQKN-UHFFFAOYSA-N
XLogP6.65
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.90
LogP ≤ 56.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(4-chloro-N-(2,4-dichlorobenzoyl)anilino)-1,3-thiazol-4-yl] N-(1-ethylpiperidin-3-yl)carbamate?
The IUPAC name of [2-(4-chloro-N-(2,4-dichlorobenzoyl)anilino)-1,3-thiazol-4-yl] N-(1-ethylpiperidin-3-yl)carbamate (CID 69287747) is [2-(4-chloro-N-(2,4-dichlorobenzoyl)anilino)-1,3-thiazol-4-yl] N-(1-ethylpiperidin-3-yl)carbamate.
What is the SMILES notation for [2-(4-chloro-N-(2,4-dichlorobenzoyl)anilino)-1,3-thiazol-4-yl] N-(1-ethylpiperidin-3-yl)carbamate?
The canonical SMILES for [2-(4-chloro-N-(2,4-dichlorobenzoyl)anilino)-1,3-thiazol-4-yl] N-(1-ethylpiperidin-3-yl)carbamate is CCN1CCCC(NC(=O)Oc2csc(N(C(=O)c3ccc(Cl)cc3Cl)c3ccc(Cl)cc3)n2)C1.
What is the InChIKey of [2-(4-chloro-N-(2,4-dichlorobenzoyl)anilino)-1,3-thiazol-4-yl] N-(1-ethylpiperidin-3-yl)carbamate?
The InChIKey is VMFGZSJCZSSQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23Cl3N4O3S/c1-2-30-11-3-4-17(13-30)28-24(33)34-21-14-35-23(29-21)31(18-8-5-15(25)6-9-18)22(32)19-10-7-16(26)12-20(19)27/h5-10,12,14,17H,2-4,11,13H2,1H3,(H,28,33).
What are the key properties of [2-(4-chloro-N-(2,4-dichlorobenzoyl)anilino)-1,3-thiazol-4-yl] N-(1-ethylpiperidin-3-yl)carbamate?
[2-(4-chloro-N-(2,4-dichlorobenzoyl)anilino)-1,3-thiazol-4-yl] N-(1-ethylpiperidin-3-yl)carbamate has a molecular weight of 553.90 g/mol, XLogP of 6.65, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chloro-N-(2,4-dichlorobenzoyl)anilino)-1,3-thiazol-4-yl] N-(1-ethylpiperidin-3-yl)carbamate is sourced from PubChem (CID 69287747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).