5-[[(2-methylpyrido[2,3-d]pyrimidin-4-yl)amino]methyl]-1,3,4-thiadiazol-2-amine

C11H11N7S — CID 72927889

IUPAC5-[[(2-methylpyrido[2,3-d]pyrimidin-4-yl)amino]methyl]-1,3,4-thiadiazol-2-amine
SMILESCc1nc(NCc2nnc(N)s2)c2cccnc2n1
InChIInChI=1S/C11H11N7S/c1-6-15-9-7(3-2-4-13-9)10(16-6)14-5-8-17-18-11(12)19-8/h2-4H,5H2,1H3,(H2,12,18)(H,13,14,15,16)
InChIKeyGTSZPNSBLMPTOD-UHFFFAOYSA-N
MW273.32 g/mol
LogP1.38
Rot. Bonds3

About 5-[[(2-methylpyrido[2,3-d]pyrimidin-4-yl)amino]methyl]-1,3,4-thiadiazol-2-amine

5-[[(2-methylpyrido[2,3-d]pyrimidin-4-yl)amino]methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 72927889) has the molecular formula C11H11N7S and a molecular weight of 273.32 g/mol. Its IUPAC name is 5-[[(2-methylpyrido[2,3-d]pyrimidin-4-yl)amino]methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[[(2-methylpyrido[2,3-d]pyrimidin-4-yl)amino]methyl]-1,3,4-thiadiazol-2-amine
PubChem CID72927889
Molecular FormulaC11H11N7S
Molecular Weight273.32 g/mol
Exact Mass273.08
IUPAC Name5-[[(2-methylpyrido[2,3-d]pyrimidin-4-yl)amino]methyl]-1,3,4-thiadiazol-2-amine
SMILESCc1nc(NCc2nnc(N)s2)c2cccnc2n1
InChIInChI=1S/C11H11N7S/c1-6-15-9-7(3-2-4-13-9)10(16-6)14-5-8-17-18-11(12)19-8/h2-4H,5H2,1H3,(H2,12,18)(H,13,14,15,16)
InChIKeyGTSZPNSBLMPTOD-UHFFFAOYSA-N
XLogP1.38
TPSA102.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[[(2-methylpyrido[2,3-d]pyrimidin-4-yl)amino]methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[[(2-methylpyrido[2,3-d]pyrimidin-4-yl)amino]methyl]-1,3,4-thiadiazol-2-amine (CID 72927889) is 5-[[(2-methylpyrido[2,3-d]pyrimidin-4-yl)amino]methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[[(2-methylpyrido[2,3-d]pyrimidin-4-yl)amino]methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[[(2-methylpyrido[2,3-d]pyrimidin-4-yl)amino]methyl]-1,3,4-thiadiazol-2-amine is Cc1nc(NCc2nnc(N)s2)c2cccnc2n1.
What is the InChIKey of 5-[[(2-methylpyrido[2,3-d]pyrimidin-4-yl)amino]methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is GTSZPNSBLMPTOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N7S/c1-6-15-9-7(3-2-4-13-9)10(16-6)14-5-8-17-18-11(12)19-8/h2-4H,5H2,1H3,(H2,12,18)(H,13,14,15,16).
What are the key properties of 5-[[(2-methylpyrido[2,3-d]pyrimidin-4-yl)amino]methyl]-1,3,4-thiadiazol-2-amine?
5-[[(2-methylpyrido[2,3-d]pyrimidin-4-yl)amino]methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 273.32 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2-methylpyrido[2,3-d]pyrimidin-4-yl)amino]methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 72927889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).