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

C16H20N2O2S — CID 4788960

IUPAC7a-methyl-N-[(4-methylphenyl)methyl]-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCc1ccc(CNC(=O)C2CSC3(C)CCC(=O)N23)cc1
InChIInChI=1S/C16H20N2O2S/c1-11-3-5-12(6-4-11)9-17-15(20)13-10-21-16(2)8-7-14(19)18(13)16/h3-6,13H,7-10H2,1-2H3,(H,17,20)
InChIKeyHPEKJIVDWZUPET-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.07
Rot. Bonds3

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

7a-methyl-N-[(4-methylphenyl)methyl]-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide (PubChem CID 4788960) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 7a-methyl-N-[(4-methylphenyl)methyl]-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide.

Molecular Properties

Compound Name7a-methyl-N-[(4-methylphenyl)methyl]-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
PubChem CID4788960
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name7a-methyl-N-[(4-methylphenyl)methyl]-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCc1ccc(CNC(=O)C2CSC3(C)CCC(=O)N23)cc1
InChIInChI=1S/C16H20N2O2S/c1-11-3-5-12(6-4-11)9-17-15(20)13-10-21-16(2)8-7-14(19)18(13)16/h3-6,13H,7-10H2,1-2H3,(H,17,20)
InChIKeyHPEKJIVDWZUPET-UHFFFAOYSA-N
XLogP2.07
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-(2-methylpropyl)-5-oxo-2,3,5,9b-tetrahydro[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
CID 17577040
(4R)-N-Octadecyl-2-phenyl-4-thiazolidinecarboxamide
CID 11156218
(4R)-2-phenyl-N-tetradecyl-1,3-thiazolidine-4-carboxamide
CID 11316635
3-((2S,4S)-4-benzylamino-2-pyrrolidinylcarbonyl)-1,3-thiazolidine
CID 44422477
3-[(2S,4S)-4-(4-cyanophenylmethyl)amino-2-pyrrolidinylcarbonyl]-1,3-thiazolidine
CID 44422485
3-((2S,4S)-4-benzoylamino-2-pyrrolidinylcarbonyl)-1,3-thiazolidine
CID 44422486
3-{(2S,4S)-4-[N-(4-cyanophenylmethyl)-N-methylamino]-2-pyrrolidinylcarbonyl}-1,3-thiazolidine
CID 44422513
3-{(2S,4S)-4-[N-(4-cyanophenylmethyl)-N-isopropylamino]-2-pyrrolidinylcarbonyl}-1,3-thiazolidine
CID 44422514
3-{(2S,4S)-4-[N-butyl-N-(4-cyanophenylmethyl)amino]-2-pyrrolidinylcarbonyl}-1,3-thiazolidine
CID 44422518
3-{(2S,4S)-4-[bis(4-cyanophenylmethyl)]amino-2-pyrrolidinylcarbonyl}-1,3-thiazolidine
CID 44422519
3-{(2S,4S)-4-[N-(carbamoylmethyl)-N-(4-cyanophenylmethyl)amino]-2-pyrrolidinylcarbonyl}-1,3-thiazolidine
CID 44422523
Atcaa-1
CID 44433149

Frequently Asked Questions

What is the IUPAC name of 7a-methyl-N-[(4-methylphenyl)methyl]-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
The IUPAC name of 7a-methyl-N-[(4-methylphenyl)methyl]-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide (CID 4788960) is 7a-methyl-N-[(4-methylphenyl)methyl]-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide.
What is the SMILES notation for 7a-methyl-N-[(4-methylphenyl)methyl]-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
The canonical SMILES for 7a-methyl-N-[(4-methylphenyl)methyl]-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide is Cc1ccc(CNC(=O)C2CSC3(C)CCC(=O)N23)cc1.
What is the InChIKey of 7a-methyl-N-[(4-methylphenyl)methyl]-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
The InChIKey is HPEKJIVDWZUPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-11-3-5-12(6-4-11)9-17-15(20)13-10-21-16(2)8-7-14(19)18(13)16/h3-6,13H,7-10H2,1-2H3,(H,17,20).
What are the key properties of 7a-methyl-N-[(4-methylphenyl)methyl]-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
7a-methyl-N-[(4-methylphenyl)methyl]-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide has a molecular weight of 304.42 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7a-methyl-N-[(4-methylphenyl)methyl]-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide is sourced from PubChem (CID 4788960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).