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

C16H18Cl2N2O2S — CID 42904897

IUPACN-[(2,4-dichlorophenyl)methyl]-N,7a-dimethyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCN(Cc1ccc(Cl)cc1Cl)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)7-12(10)18/h3-4,7,13H,5-6,8-9H2,1-2H3
InChIKeyCFQDYSGGKRBJJM-UHFFFAOYSA-N
MW373.31 g/mol
LogP3.41
Rot. Bonds3

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

N-[(2,4-dichlorophenyl)methyl]-N,7a-dimethyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide (PubChem CID 42904897) has the molecular formula C16H18Cl2N2O2S and a molecular weight of 373.31 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-N,7a-dimethyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-N,7a-dimethyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
PubChem CID42904897
Molecular FormulaC16H18Cl2N2O2S
Molecular Weight373.31 g/mol
Exact Mass372.05
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-N,7a-dimethyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCN(Cc1ccc(Cl)cc1Cl)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)7-12(10)18/h3-4,7,13H,5-6,8-9H2,1-2H3
InChIKeyCFQDYSGGKRBJJM-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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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-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-[(2,4-dichlorophenyl)methyl]-N,7a-dimethyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide (CID 42904897) is N-[(2,4-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-[(2,4-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-[(2,4-dichlorophenyl)methyl]-N,7a-dimethyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide is CN(Cc1ccc(Cl)cc1Cl)C(=O)C1CSC2(C)CCC(=O)N12.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-N,7a-dimethyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
The InChIKey is CFQDYSGGKRBJJM-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)7-12(10)18/h3-4,7,13H,5-6,8-9H2,1-2H3.
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-N,7a-dimethyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
N-[(2,4-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-[(2,4-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 42904897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).