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

C10H11N5S2 — CID 107546460

IUPAC6-methyl-2-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidine-4-carbothioamide
SMILESCc1cc(C(N)=S)nc(Nc2nc(C)cs2)n1
InChIInChI=1S/C10H11N5S2/c1-5-3-7(8(11)16)14-9(12-5)15-10-13-6(2)4-17-10/h3-4H,1-2H3,(H2,11,16)(H,12,13,14,15)
InChIKeyOMKUPDBLFOZKQT-UHFFFAOYSA-N
MW265.37 g/mol
LogP1.93
Rot. Bonds3

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

6-methyl-2-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidine-4-carbothioamide (PubChem CID 107546460) has the molecular formula C10H11N5S2 and a molecular weight of 265.37 g/mol. Its IUPAC name is 6-methyl-2-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidine-4-carbothioamide.

Molecular Properties

Compound Name6-methyl-2-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidine-4-carbothioamide
PubChem CID107546460
Molecular FormulaC10H11N5S2
Molecular Weight265.37 g/mol
Exact Mass265.05
IUPAC Name6-methyl-2-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidine-4-carbothioamide
SMILESCc1cc(C(N)=S)nc(Nc2nc(C)cs2)n1
InChIInChI=1S/C10H11N5S2/c1-5-3-7(8(11)16)14-9(12-5)15-10-13-6(2)4-17-10/h3-4H,1-2H3,(H2,11,16)(H,12,13,14,15)
InChIKeyOMKUPDBLFOZKQT-UHFFFAOYSA-N
XLogP1.93
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidine-4-carbothioamide?
The IUPAC name of 6-methyl-2-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidine-4-carbothioamide (CID 107546460) is 6-methyl-2-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidine-4-carbothioamide.
What is the SMILES notation for 6-methyl-2-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidine-4-carbothioamide?
The canonical SMILES for 6-methyl-2-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidine-4-carbothioamide is Cc1cc(C(N)=S)nc(Nc2nc(C)cs2)n1.
What is the InChIKey of 6-methyl-2-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidine-4-carbothioamide?
The InChIKey is OMKUPDBLFOZKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5S2/c1-5-3-7(8(11)16)14-9(12-5)15-10-13-6(2)4-17-10/h3-4H,1-2H3,(H2,11,16)(H,12,13,14,15).
What are the key properties of 6-methyl-2-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidine-4-carbothioamide?
6-methyl-2-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidine-4-carbothioamide has a molecular weight of 265.37 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidine-4-carbothioamide is sourced from PubChem (CID 107546460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).