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

C10H9N7O2S2 — CID 135541135

IUPACN-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]acetamide
SMILESCc1nnc(NC(=O)CSc2nc3[nH]ncc3c(=O)[nH]2)s1
InChIInChI=1S/C10H9N7O2S2/c1-4-15-17-10(21-4)12-6(18)3-20-9-13-7-5(2-11-16-7)8(19)14-9/h2H,3H2,1H3,(H,12,17,18)(H2,11,13,14,16,19)
InChIKeyTYJGEKQHBVKIAD-UHFFFAOYSA-N
MW323.36 g/mol
LogP0.54
Rot. Bonds4

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

N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]acetamide (PubChem CID 135541135) has the molecular formula C10H9N7O2S2 and a molecular weight of 323.36 g/mol. Its IUPAC name is N-(5-methyl-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-methyl-1,3,4-thiadiazol-2-yl)-2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]acetamide
PubChem CID135541135
Molecular FormulaC10H9N7O2S2
Molecular Weight323.36 g/mol
Exact Mass323.03
IUPAC NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]acetamide
SMILESCc1nnc(NC(=O)CSc2nc3[nH]ncc3c(=O)[nH]2)s1
InChIInChI=1S/C10H9N7O2S2/c1-4-15-17-10(21-4)12-6(18)3-20-9-13-7-5(2-11-16-7)8(19)14-9/h2H,3H2,1H3,(H,12,17,18)(H2,11,13,14,16,19)
InChIKeyTYJGEKQHBVKIAD-UHFFFAOYSA-N
XLogP0.54
TPSA129.31 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-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-methyl-1,3,4-thiadiazol-2-yl)-2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]acetamide (CID 135541135) is N-(5-methyl-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-methyl-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-methyl-1,3,4-thiadiazol-2-yl)-2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]acetamide is Cc1nnc(NC(=O)CSc2nc3[nH]ncc3c(=O)[nH]2)s1.
What is the InChIKey of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]acetamide?
The InChIKey is TYJGEKQHBVKIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N7O2S2/c1-4-15-17-10(21-4)12-6(18)3-20-9-13-7-5(2-11-16-7)8(19)14-9/h2H,3H2,1H3,(H,12,17,18)(H2,11,13,14,16,19).
What are the key properties of N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(4-oxo-1,5-dihydropyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]acetamide?
N-(5-methyl-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 323.36 g/mol, XLogP of 0.54, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-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 135541135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).