N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide

C19H24ClN3O3S — CID 42892979

IUPACN-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)C1CSC2(C)CCC(=O)N12
InChIInChI=1S/C19H24ClN3O3S/c1-4-22(10-16(24)21-14-9-13(20)6-5-12(14)2)18(26)15-11-27-19(3)8-7-17(25)23(15)19/h5-6,9,15H,4,7-8,10-11H2,1-3H3,(H,21,24)
InChIKeyOMJVSCARQWHBAG-UHFFFAOYSA-N
MW409.94 g/mol
LogP2.89
Rot. Bonds5

About N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide

N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide (PubChem CID 42892979) has the molecular formula C19H24ClN3O3S and a molecular weight of 409.94 g/mol. Its IUPAC name is N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
PubChem CID42892979
Molecular FormulaC19H24ClN3O3S
Molecular Weight409.94 g/mol
Exact Mass409.12
IUPAC NameN-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)C1CSC2(C)CCC(=O)N12
InChIInChI=1S/C19H24ClN3O3S/c1-4-22(10-16(24)21-14-9-13(20)6-5-12(14)2)18(26)15-11-27-19(3)8-7-17(25)23(15)19/h5-6,9,15H,4,7-8,10-11H2,1-3H3,(H,21,24)
InChIKeyOMJVSCARQWHBAG-UHFFFAOYSA-N
XLogP2.89
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.94
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
The IUPAC name of N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide (CID 42892979) is N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide.
What is the SMILES notation for N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
The canonical SMILES for N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide is CCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)C1CSC2(C)CCC(=O)N12.
What is the InChIKey of N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
The InChIKey is OMJVSCARQWHBAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O3S/c1-4-22(10-16(24)21-14-9-13(20)6-5-12(14)2)18(26)15-11-27-19(3)8-7-17(25)23(15)19/h5-6,9,15H,4,7-8,10-11H2,1-3H3,(H,21,24).
What are the key properties of N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide has a molecular weight of 409.94 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethyl-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide is sourced from PubChem (CID 42892979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).