3-(4-chlorobenzoyl)-2-(2-methylpropyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazolidine-4-carboxamide

C21H30ClN3O3S — CID 4238777

IUPAC3-(4-chlorobenzoyl)-2-(2-methylpropyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazolidine-4-carboxamide
SMILESCC(C)CC1SCC(C(=O)NCCN2CCOCC2)N1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H30ClN3O3S/c1-15(2)13-19-25(21(27)16-3-5-17(22)6-4-16)18(14-29-19)20(26)23-7-8-24-9-11-28-12-10-24/h3-6,15,18-19H,7-14H2,1-2H3,(H,23,26)
InChIKeyDPWMIKWZVBEOOV-UHFFFAOYSA-N
MW440.01 g/mol
LogP2.72
Rot. Bonds7

About 3-(4-chlorobenzoyl)-2-(2-methylpropyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazolidine-4-carboxamide

3-(4-chlorobenzoyl)-2-(2-methylpropyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 4238777) has the molecular formula C21H30ClN3O3S and a molecular weight of 440.01 g/mol. Its IUPAC name is 3-(4-chlorobenzoyl)-2-(2-methylpropyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name3-(4-chlorobenzoyl)-2-(2-methylpropyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazolidine-4-carboxamide
PubChem CID4238777
Molecular FormulaC21H30ClN3O3S
Molecular Weight440.01 g/mol
Exact Mass439.17
IUPAC Name3-(4-chlorobenzoyl)-2-(2-methylpropyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazolidine-4-carboxamide
SMILESCC(C)CC1SCC(C(=O)NCCN2CCOCC2)N1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H30ClN3O3S/c1-15(2)13-19-25(21(27)16-3-5-17(22)6-4-16)18(14-29-19)20(26)23-7-8-24-9-11-28-12-10-24/h3-6,15,18-19H,7-14H2,1-2H3,(H,23,26)
InChIKeyDPWMIKWZVBEOOV-UHFFFAOYSA-N
XLogP2.72
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.01
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorobenzoyl)-2-(2-methylpropyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 3-(4-chlorobenzoyl)-2-(2-methylpropyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazolidine-4-carboxamide (CID 4238777) is 3-(4-chlorobenzoyl)-2-(2-methylpropyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 3-(4-chlorobenzoyl)-2-(2-methylpropyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 3-(4-chlorobenzoyl)-2-(2-methylpropyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazolidine-4-carboxamide is CC(C)CC1SCC(C(=O)NCCN2CCOCC2)N1C(=O)c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorobenzoyl)-2-(2-methylpropyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is DPWMIKWZVBEOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30ClN3O3S/c1-15(2)13-19-25(21(27)16-3-5-17(22)6-4-16)18(14-29-19)20(26)23-7-8-24-9-11-28-12-10-24/h3-6,15,18-19H,7-14H2,1-2H3,(H,23,26).
What are the key properties of 3-(4-chlorobenzoyl)-2-(2-methylpropyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazolidine-4-carboxamide?
3-(4-chlorobenzoyl)-2-(2-methylpropyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 440.01 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorobenzoyl)-2-(2-methylpropyl)-N-(2-morpholin-4-ylethyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 4238777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).