2-pyrimidin-2-ylsulfanyl-N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]acetamide

C14H17N5OS2 — CID 90619576

IUPAC2-pyrimidin-2-ylsulfanyl-N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]acetamide
SMILESO=C(CSc1ncccn1)NCC1CCCN1c1nccs1
InChIInChI=1S/C14H17N5OS2/c20-12(10-22-13-15-4-2-5-16-13)18-9-11-3-1-7-19(11)14-17-6-8-21-14/h2,4-6,8,11H,1,3,7,9-10H2,(H,18,20)
InChIKeyOOZOWHQJZHFCNY-UHFFFAOYSA-N
MW335.46 g/mol
LogP1.81
Rot. Bonds6

About 2-pyrimidin-2-ylsulfanyl-N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]acetamide

2-pyrimidin-2-ylsulfanyl-N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]acetamide (PubChem CID 90619576) has the molecular formula C14H17N5OS2 and a molecular weight of 335.46 g/mol. Its IUPAC name is 2-pyrimidin-2-ylsulfanyl-N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-pyrimidin-2-ylsulfanyl-N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]acetamide
PubChem CID90619576
Molecular FormulaC14H17N5OS2
Molecular Weight335.46 g/mol
Exact Mass335.09
IUPAC Name2-pyrimidin-2-ylsulfanyl-N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]acetamide
SMILESO=C(CSc1ncccn1)NCC1CCCN1c1nccs1
InChIInChI=1S/C14H17N5OS2/c20-12(10-22-13-15-4-2-5-16-13)18-9-11-3-1-7-19(11)14-17-6-8-21-14/h2,4-6,8,11H,1,3,7,9-10H2,(H,18,20)
InChIKeyOOZOWHQJZHFCNY-UHFFFAOYSA-N
XLogP1.81
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.46
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-pyrimidin-2-ylsulfanyl-N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]acetamide?
The IUPAC name of 2-pyrimidin-2-ylsulfanyl-N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]acetamide (CID 90619576) is 2-pyrimidin-2-ylsulfanyl-N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]acetamide.
What is the SMILES notation for 2-pyrimidin-2-ylsulfanyl-N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]acetamide?
The canonical SMILES for 2-pyrimidin-2-ylsulfanyl-N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]acetamide is O=C(CSc1ncccn1)NCC1CCCN1c1nccs1.
What is the InChIKey of 2-pyrimidin-2-ylsulfanyl-N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]acetamide?
The InChIKey is OOZOWHQJZHFCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5OS2/c20-12(10-22-13-15-4-2-5-16-13)18-9-11-3-1-7-19(11)14-17-6-8-21-14/h2,4-6,8,11H,1,3,7,9-10H2,(H,18,20).
What are the key properties of 2-pyrimidin-2-ylsulfanyl-N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]acetamide?
2-pyrimidin-2-ylsulfanyl-N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]acetamide has a molecular weight of 335.46 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrimidin-2-ylsulfanyl-N-[[1-(1,3-thiazol-2-yl)pyrrolidin-2-yl]methyl]acetamide is sourced from PubChem (CID 90619576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).