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

C20H28N2O2S — CID 25163619

IUPACN-[(4-tert-butylphenyl)methyl]-N,7a-dimethyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCN(Cc1ccc(C(C)(C)C)cc1)C(=O)C1CSC2(C)CCC(=O)N12
InChIInChI=1S/C20H28N2O2S/c1-19(2,3)15-8-6-14(7-9-15)12-21(5)18(24)16-13-25-20(4)11-10-17(23)22(16)20/h6-9,16H,10-13H2,1-5H3
InChIKeyGJEBFROSYGEBKX-UHFFFAOYSA-N
MW360.52 g/mol
LogP3.40
Rot. Bonds3

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

N-[(4-tert-butylphenyl)methyl]-N,7a-dimethyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide (PubChem CID 25163619) has the molecular formula C20H28N2O2S and a molecular weight of 360.52 g/mol. Its IUPAC name is N-[(4-tert-butylphenyl)methyl]-N,7a-dimethyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide.

Molecular Properties

Compound NameN-[(4-tert-butylphenyl)methyl]-N,7a-dimethyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
PubChem CID25163619
Molecular FormulaC20H28N2O2S
Molecular Weight360.52 g/mol
Exact Mass360.19
IUPAC NameN-[(4-tert-butylphenyl)methyl]-N,7a-dimethyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCN(Cc1ccc(C(C)(C)C)cc1)C(=O)C1CSC2(C)CCC(=O)N12
InChIInChI=1S/C20H28N2O2S/c1-19(2,3)15-8-6-14(7-9-15)12-21(5)18(24)16-13-25-20(4)11-10-17(23)22(16)20/h6-9,16H,10-13H2,1-5H3
InChIKeyGJEBFROSYGEBKX-UHFFFAOYSA-N
XLogP3.40
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.52
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7a-methyl-N-[(4-methylphenyl)methyl]-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 4788960
N-[2-(4-fluorophenyl)ethyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 24687173
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
3-(Azepane-1-carbonyl)-7a-(4-fluorophenyl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazol-5-one
CID 2998559
N-benzyl-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 42906111
7a-methyl-5-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
CID 4803565
2-(2-Methylphenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazolidin-4-one
CID 24711901
2-[2-(4-tert-butylphenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-methylacetamide
CID 24711916
N,N-dimethyl-2-[2-(2-methylphenyl)-4-oxo-1,3-thiazolidin-3-yl]propanamide
CID 71957835
(3aS,6aR)-1-[(R)-(1-phenylethyl)]-3-benzyl-dihydro-1H-thieno[3,4-d]-imidazol-2,4(3H,3aH)-dione
CID 11013605

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylphenyl)methyl]-N,7a-dimethyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
The IUPAC name of N-[(4-tert-butylphenyl)methyl]-N,7a-dimethyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide (CID 25163619) is N-[(4-tert-butylphenyl)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-[(4-tert-butylphenyl)methyl]-N,7a-dimethyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
The canonical SMILES for N-[(4-tert-butylphenyl)methyl]-N,7a-dimethyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide is CN(Cc1ccc(C(C)(C)C)cc1)C(=O)C1CSC2(C)CCC(=O)N12.
What is the InChIKey of N-[(4-tert-butylphenyl)methyl]-N,7a-dimethyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
The InChIKey is GJEBFROSYGEBKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2S/c1-19(2,3)15-8-6-14(7-9-15)12-21(5)18(24)16-13-25-20(4)11-10-17(23)22(16)20/h6-9,16H,10-13H2,1-5H3.
What are the key properties of N-[(4-tert-butylphenyl)methyl]-N,7a-dimethyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
N-[(4-tert-butylphenyl)methyl]-N,7a-dimethyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide has a molecular weight of 360.52 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylphenyl)methyl]-N,7a-dimethyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide is sourced from PubChem (CID 25163619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).