N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-pyrimidin-2-ylsulfanylacetamide

C10H11N5OS3 — CID 2928978

IUPACN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-pyrimidin-2-ylsulfanylacetamide
SMILESCCSc1nnc(NC(=O)CSc2ncccn2)s1
InChIInChI=1S/C10H11N5OS3/c1-2-17-10-15-14-9(19-10)13-7(16)6-18-8-11-4-3-5-12-8/h3-5H,2,6H2,1H3,(H,13,14,16)
InChIKeyYPAVOJJHAVQDEB-UHFFFAOYSA-N
MW313.43 g/mol
LogP2.17
Rot. Bonds6

About N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-pyrimidin-2-ylsulfanylacetamide

N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-pyrimidin-2-ylsulfanylacetamide (PubChem CID 2928978) has the molecular formula C10H11N5OS3 and a molecular weight of 313.43 g/mol. Its IUPAC name is N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-pyrimidin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-pyrimidin-2-ylsulfanylacetamide
PubChem CID2928978
Molecular FormulaC10H11N5OS3
Molecular Weight313.43 g/mol
Exact Mass313.01
IUPAC NameN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-pyrimidin-2-ylsulfanylacetamide
SMILESCCSc1nnc(NC(=O)CSc2ncccn2)s1
InChIInChI=1S/C10H11N5OS3/c1-2-17-10-15-14-9(19-10)13-7(16)6-18-8-11-4-3-5-12-8/h3-5H,2,6H2,1H3,(H,13,14,16)
InChIKeyYPAVOJJHAVQDEB-UHFFFAOYSA-N
XLogP2.17
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-pyrimidin-2-ylsulfanylacetamide?
The IUPAC name of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-pyrimidin-2-ylsulfanylacetamide (CID 2928978) is N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-pyrimidin-2-ylsulfanylacetamide.
What is the SMILES notation for N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-pyrimidin-2-ylsulfanylacetamide?
The canonical SMILES for N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-pyrimidin-2-ylsulfanylacetamide is CCSc1nnc(NC(=O)CSc2ncccn2)s1.
What is the InChIKey of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-pyrimidin-2-ylsulfanylacetamide?
The InChIKey is YPAVOJJHAVQDEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5OS3/c1-2-17-10-15-14-9(19-10)13-7(16)6-18-8-11-4-3-5-12-8/h3-5H,2,6H2,1H3,(H,13,14,16).
What are the key properties of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-pyrimidin-2-ylsulfanylacetamide?
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-pyrimidin-2-ylsulfanylacetamide has a molecular weight of 313.43 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-pyrimidin-2-ylsulfanylacetamide is sourced from PubChem (CID 2928978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).