[2-amino-5-(2-fluorophenyl)-4-methylthiophen-3-yl]-pyrrolidin-1-ylmethanone

C16H17FN2OS — CID 114830957

IUPAC[2-amino-5-(2-fluorophenyl)-4-methylthiophen-3-yl]-pyrrolidin-1-ylmethanone
SMILESCc1c(-c2ccccc2F)sc(N)c1C(=O)N1CCCC1
InChIInChI=1S/C16H17FN2OS/c1-10-13(16(20)19-8-4-5-9-19)15(18)21-14(10)11-6-2-3-7-12(11)17/h2-3,6-7H,4-5,8-9,18H2,1H3
InChIKeyFTPOPNAMHPOLMA-UHFFFAOYSA-N
MW304.39 g/mol
LogP3.68
Rot. Bonds2

About [2-amino-5-(2-fluorophenyl)-4-methylthiophen-3-yl]-pyrrolidin-1-ylmethanone

[2-amino-5-(2-fluorophenyl)-4-methylthiophen-3-yl]-pyrrolidin-1-ylmethanone (PubChem CID 114830957) has the molecular formula C16H17FN2OS and a molecular weight of 304.39 g/mol. Its IUPAC name is [2-amino-5-(2-fluorophenyl)-4-methylthiophen-3-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[2-amino-5-(2-fluorophenyl)-4-methylthiophen-3-yl]-pyrrolidin-1-ylmethanone
PubChem CID114830957
Molecular FormulaC16H17FN2OS
Molecular Weight304.39 g/mol
Exact Mass304.10
IUPAC Name[2-amino-5-(2-fluorophenyl)-4-methylthiophen-3-yl]-pyrrolidin-1-ylmethanone
SMILESCc1c(-c2ccccc2F)sc(N)c1C(=O)N1CCCC1
InChIInChI=1S/C16H17FN2OS/c1-10-13(16(20)19-8-4-5-9-19)15(18)21-14(10)11-6-2-3-7-12(11)17/h2-3,6-7H,4-5,8-9,18H2,1H3
InChIKeyFTPOPNAMHPOLMA-UHFFFAOYSA-N
XLogP3.68
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Aa(45)', 'substructure': 'N/A'}

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Related Compounds

2-amino-5-(2-fluorophenyl)-N,4-dimethylthiophene-3-carboxamide
CID 114830937
2-amino-5-(2-fluorophenyl)-N,N,4-trimethylthiophene-3-carboxamide
CID 114830951
2-amino-N,N-diethyl-5-(2-fluorophenyl)-4-methylthiophene-3-carboxamide
CID 114830954
[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone
CID 53016699
5-amino-N,N,3-trimethyl-4-(piperidine-1-carbonyl)thiophene-2-carboxamide
CID 64975447
5-amino-N,3-dimethyl-4-(pyrrolidine-1-carbonyl)thiophene-2-carboxamide
CID 64975435
(4-fluoro-3-methyl-1-benzothiophen-2-yl)-piperidin-1-ylmethanone
CID 35809689
azepan-1-yl-(4-fluoro-3-methyl-1-benzothiophen-2-yl)methanone
CID 36675871
(3,5-diaminophenyl)-pyrrolidin-1-ylmethanone;2-fluorophenol
CID 143923093
(2-amino-3-fluorophenyl)-pyrrolidin-1-ylmethanone
CID 62650888
(2-chloro-6-fluorophenyl)-(3-methylpiperidin-1-yl)methanone
CID 17217403
(4-butyl-1,4-diazepan-1-yl)-[2-(2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone
CID 59337995

Frequently Asked Questions

What is the IUPAC name of [2-amino-5-(2-fluorophenyl)-4-methylthiophen-3-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [2-amino-5-(2-fluorophenyl)-4-methylthiophen-3-yl]-pyrrolidin-1-ylmethanone (CID 114830957) is [2-amino-5-(2-fluorophenyl)-4-methylthiophen-3-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [2-amino-5-(2-fluorophenyl)-4-methylthiophen-3-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [2-amino-5-(2-fluorophenyl)-4-methylthiophen-3-yl]-pyrrolidin-1-ylmethanone is Cc1c(-c2ccccc2F)sc(N)c1C(=O)N1CCCC1.
What is the InChIKey of [2-amino-5-(2-fluorophenyl)-4-methylthiophen-3-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is FTPOPNAMHPOLMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2OS/c1-10-13(16(20)19-8-4-5-9-19)15(18)21-14(10)11-6-2-3-7-12(11)17/h2-3,6-7H,4-5,8-9,18H2,1H3.
What are the key properties of [2-amino-5-(2-fluorophenyl)-4-methylthiophen-3-yl]-pyrrolidin-1-ylmethanone?
[2-amino-5-(2-fluorophenyl)-4-methylthiophen-3-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 304.39 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-5-(2-fluorophenyl)-4-methylthiophen-3-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 114830957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).