5-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-methylpyrimidin-4-amine

C9H11N5S2 — CID 139230762

IUPAC5-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-methylpyrimidin-4-amine
SMILESCCSc1nnc(-c2cnc(C)nc2N)s1
InChIInChI=1S/C9H11N5S2/c1-3-15-9-14-13-8(16-9)6-4-11-5(2)12-7(6)10/h4H,3H2,1-2H3,(H2,10,11,12)
InChIKeyOPACQRDLZUJPQG-UHFFFAOYSA-N
MW253.36 g/mol
LogP2.00
Rot. Bonds3

About 5-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-methylpyrimidin-4-amine

5-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-methylpyrimidin-4-amine (PubChem CID 139230762) has the molecular formula C9H11N5S2 and a molecular weight of 253.36 g/mol. Its IUPAC name is 5-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-methylpyrimidin-4-amine
PubChem CID139230762
Molecular FormulaC9H11N5S2
Molecular Weight253.36 g/mol
Exact Mass253.05
IUPAC Name5-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-methylpyrimidin-4-amine
SMILESCCSc1nnc(-c2cnc(C)nc2N)s1
InChIInChI=1S/C9H11N5S2/c1-3-15-9-14-13-8(16-9)6-4-11-5(2)12-7(6)10/h4H,3H2,1-2H3,(H2,10,11,12)
InChIKeyOPACQRDLZUJPQG-UHFFFAOYSA-N
XLogP2.00
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.36
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-Methyl-5-({[3-(methylthio)-1,2,4-thiadiazol-5-yl]thio}methyl)-4-pyrimidinamine
CID 2973713
5-ethyl-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-2-methylpyrimidin-4-amine
CID 50963822
2-Pyrimidin-5-yl-5-(3,4,4-trifluorobut-3-enylsulfanyl)-1,3,4-thiadiazole
CID 21653184
2-(Difluoromethylsulfanyl)-5-pyrimidin-5-yl-1,3,4-thiadiazole
CID 21653187
2-Methyl-5-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)pyrimidin-4-amine
CID 139230761
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-(2-Ethoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-methylpyrimidin-4-amine
CID 139230768
5-[5-(3,3-Dimethoxypropylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-methylpyrimidin-4-amine
CID 139230769

Frequently Asked Questions

What is the IUPAC name of 5-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-methylpyrimidin-4-amine?
The IUPAC name of 5-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-methylpyrimidin-4-amine (CID 139230762) is 5-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-methylpyrimidin-4-amine.
What is the SMILES notation for 5-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-methylpyrimidin-4-amine?
The canonical SMILES for 5-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-methylpyrimidin-4-amine is CCSc1nnc(-c2cnc(C)nc2N)s1.
What is the InChIKey of 5-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-methylpyrimidin-4-amine?
The InChIKey is OPACQRDLZUJPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5S2/c1-3-15-9-14-13-8(16-9)6-4-11-5(2)12-7(6)10/h4H,3H2,1-2H3,(H2,10,11,12).
What are the key properties of 5-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-methylpyrimidin-4-amine?
5-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-methylpyrimidin-4-amine has a molecular weight of 253.36 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-methylpyrimidin-4-amine is sourced from PubChem (CID 139230762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).