4-methyl-N-(2-methylsulfanylpyrimidin-5-yl)-1,3-thiazol-2-amine

C9H10N4S2 — CID 23605170

IUPAC4-methyl-N-(2-methylsulfanylpyrimidin-5-yl)-1,3-thiazol-2-amine
SMILESCSc1ncc(Nc2nc(C)cs2)cn1
InChIInChI=1S/C9H10N4S2/c1-6-5-15-9(12-6)13-7-3-10-8(14-2)11-4-7/h3-5H,1-2H3,(H,12,13)
InChIKeyAPNCLAQJKYOPSW-UHFFFAOYSA-N
MW238.34 g/mol
LogP2.71
Rot. Bonds3

About 4-methyl-N-(2-methylsulfanylpyrimidin-5-yl)-1,3-thiazol-2-amine

4-methyl-N-(2-methylsulfanylpyrimidin-5-yl)-1,3-thiazol-2-amine (PubChem CID 23605170) has the molecular formula C9H10N4S2 and a molecular weight of 238.34 g/mol. Its IUPAC name is 4-methyl-N-(2-methylsulfanylpyrimidin-5-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methyl-N-(2-methylsulfanylpyrimidin-5-yl)-1,3-thiazol-2-amine
PubChem CID23605170
Molecular FormulaC9H10N4S2
Molecular Weight238.34 g/mol
Exact Mass238.03
IUPAC Name4-methyl-N-(2-methylsulfanylpyrimidin-5-yl)-1,3-thiazol-2-amine
SMILESCSc1ncc(Nc2nc(C)cs2)cn1
InChIInChI=1S/C9H10N4S2/c1-6-5-15-9(12-6)13-7-3-10-8(14-2)11-4-7/h3-5H,1-2H3,(H,12,13)
InChIKeyAPNCLAQJKYOPSW-UHFFFAOYSA-N
XLogP2.71
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.34
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-methylsulfanylpyrimidin-5-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-methyl-N-(2-methylsulfanylpyrimidin-5-yl)-1,3-thiazol-2-amine (CID 23605170) is 4-methyl-N-(2-methylsulfanylpyrimidin-5-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methyl-N-(2-methylsulfanylpyrimidin-5-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-methyl-N-(2-methylsulfanylpyrimidin-5-yl)-1,3-thiazol-2-amine is CSc1ncc(Nc2nc(C)cs2)cn1.
What is the InChIKey of 4-methyl-N-(2-methylsulfanylpyrimidin-5-yl)-1,3-thiazol-2-amine?
The InChIKey is APNCLAQJKYOPSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4S2/c1-6-5-15-9(12-6)13-7-3-10-8(14-2)11-4-7/h3-5H,1-2H3,(H,12,13).
What are the key properties of 4-methyl-N-(2-methylsulfanylpyrimidin-5-yl)-1,3-thiazol-2-amine?
4-methyl-N-(2-methylsulfanylpyrimidin-5-yl)-1,3-thiazol-2-amine has a molecular weight of 238.34 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-methylsulfanylpyrimidin-5-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 23605170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).