5-[5-(2-ethoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-methylpyrimidin-4-amine

C11H15N5OS2 — CID 139230768

IUPAC5-[5-(2-ethoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-methylpyrimidin-4-amine
SMILESCCOCCSc1nnc(-c2cnc(C)nc2N)s1
InChIInChI=1S/C11H15N5OS2/c1-3-17-4-5-18-11-16-15-10(19-11)8-6-13-7(2)14-9(8)12/h6H,3-5H2,1-2H3,(H2,12,13,14)
InChIKeyJJORVUMWHFZEEC-UHFFFAOYSA-N
MW297.41 g/mol
LogP2.01
Rot. Bonds6

About 5-[5-(2-ethoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-methylpyrimidin-4-amine

5-[5-(2-ethoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-methylpyrimidin-4-amine (PubChem CID 139230768) has the molecular formula C11H15N5OS2 and a molecular weight of 297.41 g/mol. Its IUPAC name is 5-[5-(2-ethoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-[5-(2-ethoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-methylpyrimidin-4-amine
PubChem CID139230768
Molecular FormulaC11H15N5OS2
Molecular Weight297.41 g/mol
Exact Mass297.07
IUPAC Name5-[5-(2-ethoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-methylpyrimidin-4-amine
SMILESCCOCCSc1nnc(-c2cnc(C)nc2N)s1
InChIInChI=1S/C11H15N5OS2/c1-3-17-4-5-18-11-16-15-10(19-11)8-6-13-7(2)14-9(8)12/h6H,3-5H2,1-2H3,(H2,12,13,14)
InChIKeyJJORVUMWHFZEEC-UHFFFAOYSA-N
XLogP2.01
TPSA86.81 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-Methyl-5-({[3-(methylthio)-1,2,4-thiadiazol-5-yl]thio}methyl)-4-pyrimidinamine
CID 2973713
2-Methyl-5-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)pyrimidin-4-amine
CID 139230761
5-(5-Ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-methylpyrimidin-4-amine
CID 139230762
2-Methyl-5-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)pyrimidin-4-amine
CID 139230763
5-(5-Butan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)-2-methylpyrimidin-4-amine
CID 139230764
2-Methyl-5-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)pyrimidin-4-amine
CID 139230765
1-[[5-(4-Amino-2-methylpyrimidin-5-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-2-one
CID 139230766
2-Methyl-5-[5-(2-piperidin-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]pyrimidin-4-amine
CID 139230767
5-[5-(3,3-Dimethoxypropylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-methylpyrimidin-4-amine
CID 139230769
Methyl 2-[[5-(4-amino-2-methylpyrimidin-5-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate
CID 139230770
Ethyl 2-[[5-(4-amino-2-methylpyrimidin-5-yl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate
CID 139230771
2-Methyl-5-[2-(5-methylpyrimidin-2-yl)ethyl]-1,3,4-thiadiazole
CID 163639171

Frequently Asked Questions

What is the IUPAC name of 5-[5-(2-ethoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-methylpyrimidin-4-amine?
The IUPAC name of 5-[5-(2-ethoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-methylpyrimidin-4-amine (CID 139230768) is 5-[5-(2-ethoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-methylpyrimidin-4-amine.
What is the SMILES notation for 5-[5-(2-ethoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-methylpyrimidin-4-amine?
The canonical SMILES for 5-[5-(2-ethoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-methylpyrimidin-4-amine is CCOCCSc1nnc(-c2cnc(C)nc2N)s1.
What is the InChIKey of 5-[5-(2-ethoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-methylpyrimidin-4-amine?
The InChIKey is JJORVUMWHFZEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5OS2/c1-3-17-4-5-18-11-16-15-10(19-11)8-6-13-7(2)14-9(8)12/h6H,3-5H2,1-2H3,(H2,12,13,14).
What are the key properties of 5-[5-(2-ethoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-methylpyrimidin-4-amine?
5-[5-(2-ethoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-methylpyrimidin-4-amine has a molecular weight of 297.41 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(2-ethoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-methylpyrimidin-4-amine is sourced from PubChem (CID 139230768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).