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

C15H17ClN2O2S — CID 24980494

IUPACN-[(2-chlorophenyl)methyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCC12CCC(=O)N1C(C(=O)NCc1ccccc1Cl)CS2
InChIInChI=1S/C15H17ClN2O2S/c1-15-7-6-13(19)18(15)12(9-21-15)14(20)17-8-10-4-2-3-5-11(10)16/h2-5,12H,6-9H2,1H3,(H,17,20)
InChIKeyAULHSHKKEHGCRR-UHFFFAOYSA-N
MW324.83 g/mol
LogP2.41
Rot. Bonds3

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

N-[(2-chlorophenyl)methyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide (PubChem CID 24980494) has the molecular formula C15H17ClN2O2S and a molecular weight of 324.83 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
PubChem CID24980494
Molecular FormulaC15H17ClN2O2S
Molecular Weight324.83 g/mol
Exact Mass324.07
IUPAC NameN-[(2-chlorophenyl)methyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCC12CCC(=O)N1C(C(=O)NCc1ccccc1Cl)CS2
InChIInChI=1S/C15H17ClN2O2S/c1-15-7-6-13(19)18(15)12(9-21-15)14(20)17-8-10-4-2-3-5-11(10)16/h2-5,12H,6-9H2,1H3,(H,17,20)
InChIKeyAULHSHKKEHGCRR-UHFFFAOYSA-N
XLogP2.41
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.83
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[(2-chlorophenyl)methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide
CID 49864948
2-(2-Chlorophenyl)-5-methyl-1,3-thiazolidin-4-one
CID 2872214
1-[(2-chlorophenyl)methyl]-N-methyl-5-oxopyrrolidine-2-carboxamide
CID 4062447
N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N,7a-dimethyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 24982623
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
N'-(2-chlorobenzoyl)-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carbohydrazide
CID 25162278
7a-methyl-N-[(4-methylphenyl)methyl]-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 4788960
7a-methyl-5-oxo-N-(2-phenylethyl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 24819834
N-[(3-chlorophenyl)methyl]-N,7a-dimethyl-5-oxo-hexahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 24819875
N-[(2-Fluorophenyl)methyl]-7a-methyl-5-oxohexahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 24980557
(3R)-N-[(2S)-1-[(2-chloranyl-6-fluoranyl-phenyl)methylamino]-1-oxidanylidene-propan-2-yl]-5-oxidanylidene-3,9b-dihydro-2H-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
CID 17578537
N-[2-[(5Z)-5-[(2-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 25162035

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide (CID 24980494) is N-[(2-chlorophenyl)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-chlorophenyl)methyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide is CC12CCC(=O)N1C(C(=O)NCc1ccccc1Cl)CS2.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
The InChIKey is AULHSHKKEHGCRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2S/c1-15-7-6-13(19)18(15)12(9-21-15)14(20)17-8-10-4-2-3-5-11(10)16/h2-5,12H,6-9H2,1H3,(H,17,20).
What are the key properties of N-[(2-chlorophenyl)methyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
N-[(2-chlorophenyl)methyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide has a molecular weight of 324.83 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide is sourced from PubChem (CID 24980494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).