2-pyrimidin-2-ylsulfanyl-N-(1,3-thiazol-2-yl)butanamide

C11H12N4OS2 — CID 2952358

IUPAC2-pyrimidin-2-ylsulfanyl-N-(1,3-thiazol-2-yl)butanamide
SMILESCCC(Sc1ncccn1)C(=O)Nc1nccs1
InChIInChI=1S/C11H12N4OS2/c1-2-8(18-10-12-4-3-5-13-10)9(16)15-11-14-6-7-17-11/h3-8H,2H2,1H3,(H,14,15,16)
InChIKeyAFTDWWVCNXUZFH-UHFFFAOYSA-N
MW280.38 g/mol
LogP2.44
Rot. Bonds5

About 2-pyrimidin-2-ylsulfanyl-N-(1,3-thiazol-2-yl)butanamide

2-pyrimidin-2-ylsulfanyl-N-(1,3-thiazol-2-yl)butanamide (PubChem CID 2952358) has the molecular formula C11H12N4OS2 and a molecular weight of 280.38 g/mol. Its IUPAC name is 2-pyrimidin-2-ylsulfanyl-N-(1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound Name2-pyrimidin-2-ylsulfanyl-N-(1,3-thiazol-2-yl)butanamide
PubChem CID2952358
Molecular FormulaC11H12N4OS2
Molecular Weight280.38 g/mol
Exact Mass280.05
IUPAC Name2-pyrimidin-2-ylsulfanyl-N-(1,3-thiazol-2-yl)butanamide
SMILESCCC(Sc1ncccn1)C(=O)Nc1nccs1
InChIInChI=1S/C11H12N4OS2/c1-2-8(18-10-12-4-3-5-13-10)9(16)15-11-14-6-7-17-11/h3-8H,2H2,1H3,(H,14,15,16)
InChIKeyAFTDWWVCNXUZFH-UHFFFAOYSA-N
XLogP2.44
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-pyrimidin-2-ylsulfanyl-N-(1,3-thiazol-2-yl)butanamide?
The IUPAC name of 2-pyrimidin-2-ylsulfanyl-N-(1,3-thiazol-2-yl)butanamide (CID 2952358) is 2-pyrimidin-2-ylsulfanyl-N-(1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for 2-pyrimidin-2-ylsulfanyl-N-(1,3-thiazol-2-yl)butanamide?
The canonical SMILES for 2-pyrimidin-2-ylsulfanyl-N-(1,3-thiazol-2-yl)butanamide is CCC(Sc1ncccn1)C(=O)Nc1nccs1.
What is the InChIKey of 2-pyrimidin-2-ylsulfanyl-N-(1,3-thiazol-2-yl)butanamide?
The InChIKey is AFTDWWVCNXUZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4OS2/c1-2-8(18-10-12-4-3-5-13-10)9(16)15-11-14-6-7-17-11/h3-8H,2H2,1H3,(H,14,15,16).
What are the key properties of 2-pyrimidin-2-ylsulfanyl-N-(1,3-thiazol-2-yl)butanamide?
2-pyrimidin-2-ylsulfanyl-N-(1,3-thiazol-2-yl)butanamide has a molecular weight of 280.38 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrimidin-2-ylsulfanyl-N-(1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 2952358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).