6-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]thieno[2,3-d]pyrimidin-2-amine

C10H9N5S4 — CID 103335328

IUPAC6-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]thieno[2,3-d]pyrimidin-2-amine
SMILESCSc1nnc(Sc2nc(N)nc3sc(C)cc23)s1
InChIInChI=1S/C10H9N5S4/c1-4-3-5-6(17-4)12-8(11)13-7(5)18-10-15-14-9(16-2)19-10/h3H,1-2H3,(H2,11,12,13)
InChIKeyBSEGHPZODWTRKY-UHFFFAOYSA-N
MW327.49 g/mol
LogP3.31
Rot. Bonds3

About 6-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]thieno[2,3-d]pyrimidin-2-amine

6-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]thieno[2,3-d]pyrimidin-2-amine (PubChem CID 103335328) has the molecular formula C10H9N5S4 and a molecular weight of 327.49 g/mol. Its IUPAC name is 6-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]thieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name6-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]thieno[2,3-d]pyrimidin-2-amine
PubChem CID103335328
Molecular FormulaC10H9N5S4
Molecular Weight327.49 g/mol
Exact Mass326.97
IUPAC Name6-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]thieno[2,3-d]pyrimidin-2-amine
SMILESCSc1nnc(Sc2nc(N)nc3sc(C)cc23)s1
InChIInChI=1S/C10H9N5S4/c1-4-3-5-6(17-4)12-8(11)13-7(5)18-10-15-14-9(16-2)19-10/h3H,1-2H3,(H2,11,12,13)
InChIKeyBSEGHPZODWTRKY-UHFFFAOYSA-N
XLogP3.31
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.49
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 6-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]thieno[2,3-d]pyrimidin-2-amine with MolForge

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Related Compounds

6-methyl-4-(3-methylphenyl)sulfanylthieno[2,3-d]pyrimidin-2-amine
CID 103334621
6-methyl-4-thiophen-2-ylsulfanylthieno[2,3-d]pyrimidin-2-amine
CID 103334108
4-(1H-imidazol-2-ylsulfanyl)-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 107784926
4-butan-2-ylsulfanyl-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103334135
6-methyl-4-(3-methylbutylsulfanyl)thieno[2,3-d]pyrimidin-2-amine
CID 107765903
4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103334004
6-ethyl-N-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]thieno[2,3-d]pyrimidin-2-amine
CID 103335325
2-(6,7-dichloro-3-methylquinoxalin-2-yl)sulfanyl-5-methylsulfanyl-1,3,4-thiadiazole
CID 20821229
6-methyl-4-(4-methylsulfanylphenoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103332557
2-(2-chloro-5-methylpyrimidin-4-yl)sulfanyl-5-methylsulfanyl-1,3,4-thiadiazole
CID 115383155
[6-methyl-4-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336683
4-N,4-N-diethyl-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103323823

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]thieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of 6-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]thieno[2,3-d]pyrimidin-2-amine (CID 103335328) is 6-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]thieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 6-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]thieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 6-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]thieno[2,3-d]pyrimidin-2-amine is CSc1nnc(Sc2nc(N)nc3sc(C)cc23)s1.
What is the InChIKey of 6-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]thieno[2,3-d]pyrimidin-2-amine?
The InChIKey is BSEGHPZODWTRKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5S4/c1-4-3-5-6(17-4)12-8(11)13-7(5)18-10-15-14-9(16-2)19-10/h3H,1-2H3,(H2,11,12,13).
What are the key properties of 6-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]thieno[2,3-d]pyrimidin-2-amine?
6-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]thieno[2,3-d]pyrimidin-2-amine has a molecular weight of 327.49 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]thieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 103335328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).