2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide

C14H12N6O2S2 — CID 135439749

IUPAC2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESNc1cc(=O)[nH]c(SCC(=O)Nc2nnc(-c3ccccc3)s2)n1
InChIInChI=1S/C14H12N6O2S2/c15-9-6-10(21)17-13(16-9)23-7-11(22)18-14-20-19-12(24-14)8-4-2-1-3-5-8/h1-6H,7H2,(H,18,20,22)(H3,15,16,17,21)
InChIKeyNAOSSRDNYJRGKF-UHFFFAOYSA-N
MW360.42 g/mol
LogP1.60
Rot. Bonds5

About 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide

2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 135439749) has the molecular formula C14H12N6O2S2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID135439749
Molecular FormulaC14H12N6O2S2
Molecular Weight360.42 g/mol
Exact Mass360.05
IUPAC Name2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESNc1cc(=O)[nH]c(SCC(=O)Nc2nnc(-c3ccccc3)s2)n1
InChIInChI=1S/C14H12N6O2S2/c15-9-6-10(21)17-13(16-9)23-7-11(22)18-14-20-19-12(24-14)8-4-2-1-3-5-8/h1-6H,7H2,(H,18,20,22)(H3,15,16,17,21)
InChIKeyNAOSSRDNYJRGKF-UHFFFAOYSA-N
XLogP1.60
TPSA126.65 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide (CID 135439749) is 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide is Nc1cc(=O)[nH]c(SCC(=O)Nc2nnc(-c3ccccc3)s2)n1.
What is the InChIKey of 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is NAOSSRDNYJRGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N6O2S2/c15-9-6-10(21)17-13(16-9)23-7-11(22)18-14-20-19-12(24-14)8-4-2-1-3-5-8/h1-6H,7H2,(H,18,20,22)(H3,15,16,17,21).
What are the key properties of 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide?
2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 360.42 g/mol, XLogP of 1.60, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 135439749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).