(5-methyl-1,3,4-thiadiazol-2-yl) N'-(4,6-dimethylpyrimidin-2-yl)carbamimidothioate

C10H12N6S2 — CID 5214173

IUPAC(5-methyl-1,3,4-thiadiazol-2-yl) N'-(4,6-dimethylpyrimidin-2-yl)carbamimidothioate
SMILESCc1cc(C)nc(N=C(N)Sc2nnc(C)s2)n1
InChIInChI=1S/C10H12N6S2/c1-5-4-6(2)13-9(12-5)14-8(11)18-10-16-15-7(3)17-10/h4H,1-3H3,(H2,11,12,13,14)
InChIKeyWPPVKINZQYQIFF-UHFFFAOYSA-N
MW280.38 g/mol
LogP1.99
Rot. Bonds2

About (5-methyl-1,3,4-thiadiazol-2-yl) N'-(4,6-dimethylpyrimidin-2-yl)carbamimidothioate

(5-methyl-1,3,4-thiadiazol-2-yl) N'-(4,6-dimethylpyrimidin-2-yl)carbamimidothioate (PubChem CID 5214173) has the molecular formula C10H12N6S2 and a molecular weight of 280.38 g/mol. Its IUPAC name is (5-methyl-1,3,4-thiadiazol-2-yl) N'-(4,6-dimethylpyrimidin-2-yl)carbamimidothioate.

Molecular Properties

Compound Name(5-methyl-1,3,4-thiadiazol-2-yl) N'-(4,6-dimethylpyrimidin-2-yl)carbamimidothioate
PubChem CID5214173
Molecular FormulaC10H12N6S2
Molecular Weight280.38 g/mol
Exact Mass280.06
IUPAC Name(5-methyl-1,3,4-thiadiazol-2-yl) N'-(4,6-dimethylpyrimidin-2-yl)carbamimidothioate
SMILESCc1cc(C)nc(N=C(N)Sc2nnc(C)s2)n1
InChIInChI=1S/C10H12N6S2/c1-5-4-6(2)13-9(12-5)14-8(11)18-10-16-15-7(3)17-10/h4H,1-3H3,(H2,11,12,13,14)
InChIKeyWPPVKINZQYQIFF-UHFFFAOYSA-N
XLogP1.99
TPSA89.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(6-ethoxy-1,3-benzothiazol-2-yl) N'-(4,6-dimethylpyrimidin-2-yl)carbamimidothioate
CID 46861504
N'-hydroxy-2-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-4-carboximidamide
CID 137013908
4-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-2-amine
CID 112726054
N'-(4-chloro-6-methylpyrimidin-2-yl)pyrrolidine-1-carboximidamide
CID 43827118
4-chloro-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-2-amine
CID 47158888
2-(4,6-dimethylpyrimidin-2-yl)-1-(4-methylphenyl)guanidine
CID 2864540
N'-hydroxy-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanimidamide
CID 17052825
2-bromo-5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,4-thiadiazole
CID 64624757
1,1-dibutyl-2-(4,6-dimethylpyrimidin-2-yl)guanidine
CID 2967657
S-(5-methyl-1,3,4-thiadiazol-2-yl) 2-phenylethanethioate
CID 13288303
N'-hydroxy-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanimidamide
CID 60875612
(2S)-2-amino-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoic acid
CID 70428933

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,3,4-thiadiazol-2-yl) N'-(4,6-dimethylpyrimidin-2-yl)carbamimidothioate?
The IUPAC name of (5-methyl-1,3,4-thiadiazol-2-yl) N'-(4,6-dimethylpyrimidin-2-yl)carbamimidothioate (CID 5214173) is (5-methyl-1,3,4-thiadiazol-2-yl) N'-(4,6-dimethylpyrimidin-2-yl)carbamimidothioate.
What is the SMILES notation for (5-methyl-1,3,4-thiadiazol-2-yl) N'-(4,6-dimethylpyrimidin-2-yl)carbamimidothioate?
The canonical SMILES for (5-methyl-1,3,4-thiadiazol-2-yl) N'-(4,6-dimethylpyrimidin-2-yl)carbamimidothioate is Cc1cc(C)nc(N=C(N)Sc2nnc(C)s2)n1.
What is the InChIKey of (5-methyl-1,3,4-thiadiazol-2-yl) N'-(4,6-dimethylpyrimidin-2-yl)carbamimidothioate?
The InChIKey is WPPVKINZQYQIFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6S2/c1-5-4-6(2)13-9(12-5)14-8(11)18-10-16-15-7(3)17-10/h4H,1-3H3,(H2,11,12,13,14).
What are the key properties of (5-methyl-1,3,4-thiadiazol-2-yl) N'-(4,6-dimethylpyrimidin-2-yl)carbamimidothioate?
(5-methyl-1,3,4-thiadiazol-2-yl) N'-(4,6-dimethylpyrimidin-2-yl)carbamimidothioate has a molecular weight of 280.38 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,3,4-thiadiazol-2-yl) N'-(4,6-dimethylpyrimidin-2-yl)carbamimidothioate is sourced from PubChem (CID 5214173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).