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

C15H16Cl2N2O2S — CID 17412850

IUPACN-[(2,4-dichlorophenyl)methyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCC12CCC(=O)N1C(C(=O)NCc1ccc(Cl)cc1Cl)CS2
InChIInChI=1S/C15H16Cl2N2O2S/c1-15-5-4-13(20)19(15)12(8-22-15)14(21)18-7-9-2-3-10(16)6-11(9)17/h2-3,6,12H,4-5,7-8H2,1H3,(H,18,21)
InChIKeyIWPMYJLNRUCMIU-UHFFFAOYSA-N
MW359.28 g/mol
LogP3.06
Rot. Bonds3

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

N-[(2,4-dichlorophenyl)methyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide (PubChem CID 17412850) has the molecular formula C15H16Cl2N2O2S and a molecular weight of 359.28 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
PubChem CID17412850
Molecular FormulaC15H16Cl2N2O2S
Molecular Weight359.28 g/mol
Exact Mass358.03
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCC12CCC(=O)N1C(C(=O)NCc1ccc(Cl)cc1Cl)CS2
InChIInChI=1S/C15H16Cl2N2O2S/c1-15-5-4-13(20)19(15)12(8-22-15)14(21)18-7-9-2-3-10(16)6-11(9)17/h2-3,6,12H,4-5,7-8H2,1H3,(H,18,21)
InChIKeyIWPMYJLNRUCMIU-UHFFFAOYSA-N
XLogP3.06
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.28
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide (CID 17412850) is N-[(2,4-dichlorophenyl)methyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide is CC12CCC(=O)N1C(C(=O)NCc1ccc(Cl)cc1Cl)CS2.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
The InChIKey is IWPMYJLNRUCMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2O2S/c1-15-5-4-13(20)19(15)12(8-22-15)14(21)18-7-9-2-3-10(16)6-11(9)17/h2-3,6,12H,4-5,7-8H2,1H3,(H,18,21).
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
N-[(2,4-dichlorophenyl)methyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide has a molecular weight of 359.28 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide is sourced from PubChem (CID 17412850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).