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

C15H17FN2O2S — CID 24980557

IUPACN-[(2-fluorophenyl)methyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCC12CCC(=O)N1C(C(=O)NCc1ccccc1F)CS2
InChIInChI=1S/C15H17FN2O2S/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)
InChIKeyQJOGVRTURVULAQ-UHFFFAOYSA-N
MW308.38 g/mol
LogP1.90
Rot. Bonds3

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

N-[(2-fluorophenyl)methyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide (PubChem CID 24980557) has the molecular formula C15H17FN2O2S and a molecular weight of 308.38 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
PubChem CID24980557
Molecular FormulaC15H17FN2O2S
Molecular Weight308.38 g/mol
Exact Mass308.10
IUPAC NameN-[(2-fluorophenyl)methyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide
SMILESCC12CCC(=O)N1C(C(=O)NCc1ccccc1F)CS2
InChIInChI=1S/C15H17FN2O2S/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)
InChIKeyQJOGVRTURVULAQ-UHFFFAOYSA-N
XLogP1.90
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Atcaa-1
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((2S,4S)-4-(4-benzylpiperazin-1-yl)pyrrolidin-2-yl)(thiazolidin-3-yl)methanone
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(3R,6S,7aS)-6-amino-6-(4-fluorophenyl)-5-oxo-2,3,7,7a-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carbonitrile;hydrochloride
CID 45269993
5-Oxo-tetrahydro-thiophene-3-carboxylic acid cyclohexylcarbamoylmethyl-(4-fluoro-benzyl)-amide
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N-{(2S)-1-[(4-fluorobenzyl)amino]-1-oxopropan-2-yl}-1-(L-methionyl)piperidine-4-carboxamide
CID 16402081
N-[2-[(5Z)-5-[(2-fluorophenyl)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 24687317

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide (CID 24980557) is N-[(2-fluorophenyl)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-fluorophenyl)methyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide is CC12CCC(=O)N1C(C(=O)NCc1ccccc1F)CS2.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
The InChIKey is QJOGVRTURVULAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2S/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-fluorophenyl)methyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide?
N-[(2-fluorophenyl)methyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide has a molecular weight of 308.38 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide is sourced from PubChem (CID 24980557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).