5-[1-[(5-pyrimidin-2-ylsulfanylfuran-2-yl)methyl]pyrrolidin-2-yl]thiophene-2-carboxamide

C18H18N4O2S2 — CID 45183586

IUPAC5-[1-[(5-pyrimidin-2-ylsulfanylfuran-2-yl)methyl]pyrrolidin-2-yl]thiophene-2-carboxamide
SMILESNC(=O)c1ccc(C2CCCN2Cc2ccc(Sc3ncccn3)o2)s1
InChIInChI=1S/C18H18N4O2S2/c19-17(23)15-6-5-14(25-15)13-3-1-10-22(13)11-12-4-7-16(24-12)26-18-20-8-2-9-21-18/h2,4-9,13H,1,3,10-11H2,(H2,19,23)
InChIKeyHNWPUGMBENIULK-UHFFFAOYSA-N
MW386.50 g/mol
LogP3.72
Rot. Bonds6

About 5-[1-[(5-pyrimidin-2-ylsulfanylfuran-2-yl)methyl]pyrrolidin-2-yl]thiophene-2-carboxamide

5-[1-[(5-pyrimidin-2-ylsulfanylfuran-2-yl)methyl]pyrrolidin-2-yl]thiophene-2-carboxamide (PubChem CID 45183586) has the molecular formula C18H18N4O2S2 and a molecular weight of 386.50 g/mol. Its IUPAC name is 5-[1-[(5-pyrimidin-2-ylsulfanylfuran-2-yl)methyl]pyrrolidin-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-[1-[(5-pyrimidin-2-ylsulfanylfuran-2-yl)methyl]pyrrolidin-2-yl]thiophene-2-carboxamide
PubChem CID45183586
Molecular FormulaC18H18N4O2S2
Molecular Weight386.50 g/mol
Exact Mass386.09
IUPAC Name5-[1-[(5-pyrimidin-2-ylsulfanylfuran-2-yl)methyl]pyrrolidin-2-yl]thiophene-2-carboxamide
SMILESNC(=O)c1ccc(C2CCCN2Cc2ccc(Sc3ncccn3)o2)s1
InChIInChI=1S/C18H18N4O2S2/c19-17(23)15-6-5-14(25-15)13-3-1-10-22(13)11-12-4-7-16(24-12)26-18-20-8-2-9-21-18/h2,4-9,13H,1,3,10-11H2,(H2,19,23)
InChIKeyHNWPUGMBENIULK-UHFFFAOYSA-N
XLogP3.72
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[1-[(5-pyrimidin-2-ylsulfanylfuran-2-yl)methyl]pyrrolidin-2-yl]thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-1-[(5-pyrimidin-2-ylsulfanylfuran-2-yl)methyl]piperidin-3-ol
CID 95857196
5-[(2S)-1-[(3,5-dimethyl-2-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-yl]thiophene-2-carboxamide
CID 31162447
5-[(2R)-1-[(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)methyl]pyrrolidin-2-yl]thiophene-2-carboxamide
CID 31042700
5-[1-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyrrolidin-2-yl]thiophene-2-carboxamide
CID 45216025
(2R)-1-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methyl]pyrrolidine-2-carboxamide
CID 46998192
5-[(2R)-1-(furan-2-ylmethyl)pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 31105543
5-[1-[4-(pyrrol-1-ylmethyl)benzoyl]pyrrolidin-2-yl]thiophene-2-carboxamide
CID 45205026
5-[(2S)-1-(furan-2-ylmethyl)pyrrolidin-2-yl]-N-(1H-imidazol-2-ylmethyl)thiophene-2-carboxamide
CID 29023222
5-[1-(furan-2-ylmethyl)pyrrolidin-2-yl]-N-(1,3,5-trimethylpyrazol-4-yl)thiophene-2-carboxamide
CID 45193553
5-[(2R)-1-[(2-methylphenyl)methyl]pyrrolidin-2-yl]-N-pyridin-4-ylthiophene-2-carboxamide
CID 28980406
5-[(2S)-1-[2-(5-phenyltetrazol-2-yl)acetyl]pyrrolidin-2-yl]thiophene-2-carboxamide
CID 30937109
5-[(2R)-1-(furan-3-ylmethyl)pyrrolidin-2-yl]-N-(2-pyridin-4-ylethyl)thiophene-2-carboxamide
CID 30854184

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(5-pyrimidin-2-ylsulfanylfuran-2-yl)methyl]pyrrolidin-2-yl]thiophene-2-carboxamide?
The IUPAC name of 5-[1-[(5-pyrimidin-2-ylsulfanylfuran-2-yl)methyl]pyrrolidin-2-yl]thiophene-2-carboxamide (CID 45183586) is 5-[1-[(5-pyrimidin-2-ylsulfanylfuran-2-yl)methyl]pyrrolidin-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-[1-[(5-pyrimidin-2-ylsulfanylfuran-2-yl)methyl]pyrrolidin-2-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-[1-[(5-pyrimidin-2-ylsulfanylfuran-2-yl)methyl]pyrrolidin-2-yl]thiophene-2-carboxamide is NC(=O)c1ccc(C2CCCN2Cc2ccc(Sc3ncccn3)o2)s1.
What is the InChIKey of 5-[1-[(5-pyrimidin-2-ylsulfanylfuran-2-yl)methyl]pyrrolidin-2-yl]thiophene-2-carboxamide?
The InChIKey is HNWPUGMBENIULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S2/c19-17(23)15-6-5-14(25-15)13-3-1-10-22(13)11-12-4-7-16(24-12)26-18-20-8-2-9-21-18/h2,4-9,13H,1,3,10-11H2,(H2,19,23).
What are the key properties of 5-[1-[(5-pyrimidin-2-ylsulfanylfuran-2-yl)methyl]pyrrolidin-2-yl]thiophene-2-carboxamide?
5-[1-[(5-pyrimidin-2-ylsulfanylfuran-2-yl)methyl]pyrrolidin-2-yl]thiophene-2-carboxamide has a molecular weight of 386.50 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(5-pyrimidin-2-ylsulfanylfuran-2-yl)methyl]pyrrolidin-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 45183586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).