5-amino-4-benzylsulfanyl-2-pyrrolidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide

C18H19N5OS2 — CID 16751678

IUPAC5-amino-4-benzylsulfanyl-2-pyrrolidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESNC(=O)c1sc2nc(N3CCCC3)nc(SCc3ccccc3)c2c1N
InChIInChI=1S/C18H19N5OS2/c19-13-12-16(25-10-11-6-2-1-3-7-11)21-18(23-8-4-5-9-23)22-17(12)26-14(13)15(20)24/h1-3,6-7H,4-5,8-10,19H2,(H2,20,24)
InChIKeyGBZSYBYIKOEXNH-UHFFFAOYSA-N
MW385.52 g/mol
LogP3.26
Rot. Bonds5

About 5-amino-4-benzylsulfanyl-2-pyrrolidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide

5-amino-4-benzylsulfanyl-2-pyrrolidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 16751678) has the molecular formula C18H19N5OS2 and a molecular weight of 385.52 g/mol. Its IUPAC name is 5-amino-4-benzylsulfanyl-2-pyrrolidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-amino-4-benzylsulfanyl-2-pyrrolidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID16751678
Molecular FormulaC18H19N5OS2
Molecular Weight385.52 g/mol
Exact Mass385.10
IUPAC Name5-amino-4-benzylsulfanyl-2-pyrrolidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESNC(=O)c1sc2nc(N3CCCC3)nc(SCc3ccccc3)c2c1N
InChIInChI=1S/C18H19N5OS2/c19-13-12-16(25-10-11-6-2-1-3-7-11)21-18(23-8-4-5-9-23)22-17(12)26-14(13)15(20)24/h1-3,6-7H,4-5,8-10,19H2,(H2,20,24)
InChIKeyGBZSYBYIKOEXNH-UHFFFAOYSA-N
XLogP3.26
TPSA98.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.52
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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1-(6-benzylsulfanylpyrazin-2-yl)piperidine-3-carboxamide
CID 133413644
3-amino-4-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]thieno[2,3-b]pyridine-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-benzylsulfanyl-2-pyrrolidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of 5-amino-4-benzylsulfanyl-2-pyrrolidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide (CID 16751678) is 5-amino-4-benzylsulfanyl-2-pyrrolidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for 5-amino-4-benzylsulfanyl-2-pyrrolidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for 5-amino-4-benzylsulfanyl-2-pyrrolidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide is NC(=O)c1sc2nc(N3CCCC3)nc(SCc3ccccc3)c2c1N.
What is the InChIKey of 5-amino-4-benzylsulfanyl-2-pyrrolidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is GBZSYBYIKOEXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5OS2/c19-13-12-16(25-10-11-6-2-1-3-7-11)21-18(23-8-4-5-9-23)22-17(12)26-14(13)15(20)24/h1-3,6-7H,4-5,8-10,19H2,(H2,20,24).
What are the key properties of 5-amino-4-benzylsulfanyl-2-pyrrolidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide?
5-amino-4-benzylsulfanyl-2-pyrrolidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 385.52 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-benzylsulfanyl-2-pyrrolidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 16751678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).