2-methyl-5-[5-(2-piperidin-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]pyrimidin-4-amine

C14H20N6S2 — CID 139230767

IUPAC2-methyl-5-[5-(2-piperidin-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]pyrimidin-4-amine
SMILESCc1ncc(-c2nnc(SCCN3CCCCC3)s2)c(N)n1
InChIInChI=1S/C14H20N6S2/c1-10-16-9-11(12(15)17-10)13-18-19-14(22-13)21-8-7-20-5-3-2-4-6-20/h9H,2-8H2,1H3,(H2,15,16,17)
InChIKeyJRBNURRTHLJRCU-UHFFFAOYSA-N
MW336.49 g/mol
LogP2.46
Rot. Bonds5

About 2-methyl-5-[5-(2-piperidin-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]pyrimidin-4-amine

2-methyl-5-[5-(2-piperidin-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]pyrimidin-4-amine (PubChem CID 139230767) has the molecular formula C14H20N6S2 and a molecular weight of 336.49 g/mol. Its IUPAC name is 2-methyl-5-[5-(2-piperidin-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-5-[5-(2-piperidin-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]pyrimidin-4-amine
PubChem CID139230767
Molecular FormulaC14H20N6S2
Molecular Weight336.49 g/mol
Exact Mass336.12
IUPAC Name2-methyl-5-[5-(2-piperidin-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]pyrimidin-4-amine
SMILESCc1ncc(-c2nnc(SCCN3CCCCC3)s2)c(N)n1
InChIInChI=1S/C14H20N6S2/c1-10-16-9-11(12(15)17-10)13-18-19-14(22-13)21-8-7-20-5-3-2-4-6-20/h9H,2-8H2,1H3,(H2,15,16,17)
InChIKeyJRBNURRTHLJRCU-UHFFFAOYSA-N
XLogP2.46
TPSA80.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.49
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[5-(2-piperidin-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]pyrimidin-4-amine?
The IUPAC name of 2-methyl-5-[5-(2-piperidin-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]pyrimidin-4-amine (CID 139230767) is 2-methyl-5-[5-(2-piperidin-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-5-[5-(2-piperidin-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]pyrimidin-4-amine?
The canonical SMILES for 2-methyl-5-[5-(2-piperidin-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]pyrimidin-4-amine is Cc1ncc(-c2nnc(SCCN3CCCCC3)s2)c(N)n1.
What is the InChIKey of 2-methyl-5-[5-(2-piperidin-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]pyrimidin-4-amine?
The InChIKey is JRBNURRTHLJRCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6S2/c1-10-16-9-11(12(15)17-10)13-18-19-14(22-13)21-8-7-20-5-3-2-4-6-20/h9H,2-8H2,1H3,(H2,15,16,17).
What are the key properties of 2-methyl-5-[5-(2-piperidin-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]pyrimidin-4-amine?
2-methyl-5-[5-(2-piperidin-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]pyrimidin-4-amine has a molecular weight of 336.49 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[5-(2-piperidin-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]pyrimidin-4-amine is sourced from PubChem (CID 139230767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).