N-(2-fluorophenyl)-2-methylsulfanyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide

C18H17FN4OS2 — CID 8707416

IUPACN-(2-fluorophenyl)-2-methylsulfanyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCSc1nc(N2CCCC2)c2cc(C(=O)Nc3ccccc3F)sc2n1
InChIInChI=1S/C18H17FN4OS2/c1-25-18-21-15(23-8-4-5-9-23)11-10-14(26-17(11)22-18)16(24)20-13-7-3-2-6-12(13)19/h2-3,6-7,10H,4-5,8-9H2,1H3,(H,20,24)
InChIKeyFAKNLYDNQKDXIH-UHFFFAOYSA-N
MW388.49 g/mol
LogP4.40
Rot. Bonds4

About N-(2-fluorophenyl)-2-methylsulfanyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide

N-(2-fluorophenyl)-2-methylsulfanyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 8707416) has the molecular formula C18H17FN4OS2 and a molecular weight of 388.49 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-methylsulfanyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-methylsulfanyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID8707416
Molecular FormulaC18H17FN4OS2
Molecular Weight388.49 g/mol
Exact Mass388.08
IUPAC NameN-(2-fluorophenyl)-2-methylsulfanyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCSc1nc(N2CCCC2)c2cc(C(=O)Nc3ccccc3F)sc2n1
InChIInChI=1S/C18H17FN4OS2/c1-25-18-21-15(23-8-4-5-9-23)11-10-14(26-17(11)22-18)16(24)20-13-7-3-2-6-12(13)19/h2-3,6-7,10H,4-5,8-9H2,1H3,(H,20,24)
InChIKeyFAKNLYDNQKDXIH-UHFFFAOYSA-N
XLogP4.40
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methylsulfanyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine-6-carbohydrazide
CID 12064073
N-(4-ethoxyphenyl)-2-methylsulfanyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide
CID 8707434
2-ethylsulfanyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine-6-carboxylic acid
CID 99987768
4-fluoro-N-(2-fluorophenyl)-1-benzothiophene-2-carboxamide
CID 36679235
2-(azepan-1-yl)-N-(2-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109334370
N-(2-fluorophenyl)-5-pyrrolidin-1-ylpyrazine-2-carboxamide
CID 109273799
4,5-dimethyl-N-(2-piperidin-1-ylphenyl)thiophene-2-carboxamide
CID 37172802
2,6-difluoro-N-[2-(4-piperidin-1-yl-6-propylsulfanylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]benzamide
CID 16903918
3-bromo-N-[2-(6-methylsulfanyl-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]benzamide
CID 16901702
N-[2-(6-methylsulfanyl-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]furan-2-carboxamide
CID 16901769
4-methyl-N-[2-(6-methylsulfanyl-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]benzamide
CID 16901676
3,5-dimethyl-N-[2-(6-methylsulfanyl-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]benzamide
CID 16901677

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-methylsulfanyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-2-methylsulfanyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide (CID 8707416) is N-(2-fluorophenyl)-2-methylsulfanyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-methylsulfanyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-2-methylsulfanyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide is CSc1nc(N2CCCC2)c2cc(C(=O)Nc3ccccc3F)sc2n1.
What is the InChIKey of N-(2-fluorophenyl)-2-methylsulfanyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is FAKNLYDNQKDXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4OS2/c1-25-18-21-15(23-8-4-5-9-23)11-10-14(26-17(11)22-18)16(24)20-13-7-3-2-6-12(13)19/h2-3,6-7,10H,4-5,8-9H2,1H3,(H,20,24).
What are the key properties of N-(2-fluorophenyl)-2-methylsulfanyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide?
N-(2-fluorophenyl)-2-methylsulfanyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 388.49 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-methylsulfanyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 8707416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).