6-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pyrimidine-4-carbothioamide

C9H10N6S2 — CID 107548119

IUPAC6-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pyrimidine-4-carbothioamide
SMILESCc1cc(C(N)=S)nc(Nc2nc(C)ns2)n1
InChIInChI=1S/C9H10N6S2/c1-4-3-6(7(10)16)13-8(11-4)14-9-12-5(2)15-17-9/h3H,1-2H3,(H2,10,16)(H,11,12,13,14,15)
InChIKeyOJXURDNNONVTPY-UHFFFAOYSA-N
MW266.36 g/mol
LogP1.32
Rot. Bonds3

About 6-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pyrimidine-4-carbothioamide

6-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pyrimidine-4-carbothioamide (PubChem CID 107548119) has the molecular formula C9H10N6S2 and a molecular weight of 266.36 g/mol. Its IUPAC name is 6-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pyrimidine-4-carbothioamide.

Molecular Properties

Compound Name6-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pyrimidine-4-carbothioamide
PubChem CID107548119
Molecular FormulaC9H10N6S2
Molecular Weight266.36 g/mol
Exact Mass266.04
IUPAC Name6-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pyrimidine-4-carbothioamide
SMILESCc1cc(C(N)=S)nc(Nc2nc(C)ns2)n1
InChIInChI=1S/C9H10N6S2/c1-4-3-6(7(10)16)13-8(11-4)14-9-12-5(2)15-17-9/h3H,1-2H3,(H2,10,16)(H,11,12,13,14,15)
InChIKeyOJXURDNNONVTPY-UHFFFAOYSA-N
XLogP1.32
TPSA89.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pyrimidine-4-carbothioamide?
The IUPAC name of 6-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pyrimidine-4-carbothioamide (CID 107548119) is 6-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pyrimidine-4-carbothioamide.
What is the SMILES notation for 6-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pyrimidine-4-carbothioamide?
The canonical SMILES for 6-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pyrimidine-4-carbothioamide is Cc1cc(C(N)=S)nc(Nc2nc(C)ns2)n1.
What is the InChIKey of 6-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pyrimidine-4-carbothioamide?
The InChIKey is OJXURDNNONVTPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N6S2/c1-4-3-6(7(10)16)13-8(11-4)14-9-12-5(2)15-17-9/h3H,1-2H3,(H2,10,16)(H,11,12,13,14,15).
What are the key properties of 6-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pyrimidine-4-carbothioamide?
6-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pyrimidine-4-carbothioamide has a molecular weight of 266.36 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]pyrimidine-4-carbothioamide is sourced from PubChem (CID 107548119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).