N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]acetamide

C11H11N7O2S2 — CID 135541122

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]acetamide
SMILESCCc1nnc(NC(=O)CSc2nc3[nH]ncc3c(=O)[nH]2)s1
InChIInChI=1S/C11H11N7O2S2/c1-2-7-16-18-11(22-7)13-6(19)4-21-10-14-8-5(3-12-17-8)9(20)15-10/h3H,2,4H2,1H3,(H,13,18,19)(H2,12,14,15,17,20)
InChIKeyXPTWIZLXBHODDO-UHFFFAOYSA-N
MW337.39 g/mol
LogP0.79
Rot. Bonds5

About N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]acetamide

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]acetamide (PubChem CID 135541122) has the molecular formula C11H11N7O2S2 and a molecular weight of 337.39 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]acetamide
PubChem CID135541122
Molecular FormulaC11H11N7O2S2
Molecular Weight337.39 g/mol
Exact Mass337.04
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]acetamide
SMILESCCc1nnc(NC(=O)CSc2nc3[nH]ncc3c(=O)[nH]2)s1
InChIInChI=1S/C11H11N7O2S2/c1-2-7-16-18-11(22-7)13-6(19)4-21-10-14-8-5(3-12-17-8)9(20)15-10/h3H,2,4H2,1H3,(H,13,18,19)(H2,12,14,15,17,20)
InChIKeyXPTWIZLXBHODDO-UHFFFAOYSA-N
XLogP0.79
TPSA129.31 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]acetamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]acetamide (CID 135541122) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]acetamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]acetamide is CCc1nnc(NC(=O)CSc2nc3[nH]ncc3c(=O)[nH]2)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]acetamide?
The InChIKey is XPTWIZLXBHODDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N7O2S2/c1-2-7-16-18-11(22-7)13-6(19)4-21-10-14-8-5(3-12-17-8)9(20)15-10/h3H,2,4H2,1H3,(H,13,18,19)(H2,12,14,15,17,20).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]acetamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]acetamide has a molecular weight of 337.39 g/mol, XLogP of 0.79, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]acetamide is sourced from PubChem (CID 135541122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).