N-[(3,4-dichlorophenyl)methyl]-N,7a-dimethyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide

C16H18Cl2N2O2S — CID 25161525

IUPACN-[(3,4-dichlorophenyl)methyl]-N,7a-dimethyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C1CSC2(C)CCC(=O)N12
InChIInChI=1S/C16H18Cl2N2O2S/c1-16-6-5-14(21)20(16)13(9-23-16)15(22)19(2)8-10-3-4-11(17)12(18)7-10/h3-4,7,13H,5-6,8-9H2,1-2H3
InChIKeyCGSSAHGRHYTEJU-UHFFFAOYSA-N
MW373.31 g/mol
LogP3.41
Rot. Bonds3

About N-[(3,4-dichlorophenyl)methyl]-N,7a-dimethyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide

N-[(3,4-dichlorophenyl)methyl]-N,7a-dimethyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide (PubChem CID 25161525) has the molecular formula C16H18Cl2N2O2S and a molecular weight of 373.31 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-N,7a-dimethyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-N,7a-dimethyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
PubChem CID25161525
Molecular FormulaC16H18Cl2N2O2S
Molecular Weight373.31 g/mol
Exact Mass372.05
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-N,7a-dimethyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C1CSC2(C)CCC(=O)N12
InChIInChI=1S/C16H18Cl2N2O2S/c1-16-6-5-14(21)20(16)13(9-23-16)15(22)19(2)8-10-3-4-11(17)12(18)7-10/h3-4,7,13H,5-6,8-9H2,1-2H3
InChIKeyCGSSAHGRHYTEJU-UHFFFAOYSA-N
XLogP3.41
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.31
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chlorophenyl)methyl]-N,7a-dimethyl-5-oxo-hexahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 24819875
N-[(2-chlorophenyl)methyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 24980494
N-[(2,4-dichlorophenyl)methyl]-N,7a-dimethyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 42904897
(2S)-2-(3,4-dichlorophenyl)-3-[2-[(2R)-2-(3,4-dichlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidin-4-one
CID 10673576
N-[(2,4-dichlorophenyl)methyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 17412850
N-[1-(2-chlorophenyl)ethyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 24983122
2-(3,4-Dichlorophenyl)-3-[2-[2-(3,4-dichlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidin-4-one
CID 44327061
(3R,4R,7aS)-3-(3,4-dichlorophenyl)-1H,3H-imidazo[1,5-c][1,3]thiazole-5,7(6H,7aH)-dione
CID 168300928
2-(3,4-Dichlorophenyl)-3-[3-(dimethylamino)propyl]-1,3-thiazolidin-4-one
CID 2861655
2-[2-(3,4-dichlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-ethylacetamide
CID 24712213
1-[(2S)-2-(3,4-dichlorophenyl)pyrrolidin-1-yl]-2-[methyl(thiophen-2-ylmethyl)amino]ethanone
CID 96998540
N-[(4-chlorophenyl)methyl]-3-[(2R)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxamide
CID 171352067

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-N,7a-dimethyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-N,7a-dimethyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide (CID 25161525) is N-[(3,4-dichlorophenyl)methyl]-N,7a-dimethyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-N,7a-dimethyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-N,7a-dimethyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide is CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C1CSC2(C)CCC(=O)N12.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-N,7a-dimethyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
The InChIKey is CGSSAHGRHYTEJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N2O2S/c1-16-6-5-14(21)20(16)13(9-23-16)15(22)19(2)8-10-3-4-11(17)12(18)7-10/h3-4,7,13H,5-6,8-9H2,1-2H3.
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-N,7a-dimethyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
N-[(3,4-dichlorophenyl)methyl]-N,7a-dimethyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide has a molecular weight of 373.31 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-N,7a-dimethyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide is sourced from PubChem (CID 25161525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).