2-(6-chloro-5-propan-2-ylpyrimidin-4-yl)sulfanyl-5-methyl-1,3,4-thiadiazole

C10H11ClN4S2 — CID 63731024

IUPAC2-(6-chloro-5-propan-2-ylpyrimidin-4-yl)sulfanyl-5-methyl-1,3,4-thiadiazole
SMILESCc1nnc(Sc2ncnc(Cl)c2C(C)C)s1
InChIInChI=1S/C10H11ClN4S2/c1-5(2)7-8(11)12-4-13-9(7)17-10-15-14-6(3)16-10/h4-5H,1-3H3
InChIKeyRUIUHRZHJUNUTO-UHFFFAOYSA-N
MW286.81 g/mol
LogP3.56
Rot. Bonds3

About 2-(6-chloro-5-propan-2-ylpyrimidin-4-yl)sulfanyl-5-methyl-1,3,4-thiadiazole

2-(6-chloro-5-propan-2-ylpyrimidin-4-yl)sulfanyl-5-methyl-1,3,4-thiadiazole (PubChem CID 63731024) has the molecular formula C10H11ClN4S2 and a molecular weight of 286.81 g/mol. Its IUPAC name is 2-(6-chloro-5-propan-2-ylpyrimidin-4-yl)sulfanyl-5-methyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(6-chloro-5-propan-2-ylpyrimidin-4-yl)sulfanyl-5-methyl-1,3,4-thiadiazole
PubChem CID63731024
Molecular FormulaC10H11ClN4S2
Molecular Weight286.81 g/mol
Exact Mass286.01
IUPAC Name2-(6-chloro-5-propan-2-ylpyrimidin-4-yl)sulfanyl-5-methyl-1,3,4-thiadiazole
SMILESCc1nnc(Sc2ncnc(Cl)c2C(C)C)s1
InChIInChI=1S/C10H11ClN4S2/c1-5(2)7-8(11)12-4-13-9(7)17-10-15-14-6(3)16-10/h4-5H,1-3H3
InChIKeyRUIUHRZHJUNUTO-UHFFFAOYSA-N
XLogP3.56
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.81
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-5-propan-2-ylpyrimidin-4-yl)sulfanyl-5-methyl-1,3,4-thiadiazole?
The IUPAC name of 2-(6-chloro-5-propan-2-ylpyrimidin-4-yl)sulfanyl-5-methyl-1,3,4-thiadiazole (CID 63731024) is 2-(6-chloro-5-propan-2-ylpyrimidin-4-yl)sulfanyl-5-methyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-(6-chloro-5-propan-2-ylpyrimidin-4-yl)sulfanyl-5-methyl-1,3,4-thiadiazole?
The canonical SMILES for 2-(6-chloro-5-propan-2-ylpyrimidin-4-yl)sulfanyl-5-methyl-1,3,4-thiadiazole is Cc1nnc(Sc2ncnc(Cl)c2C(C)C)s1.
What is the InChIKey of 2-(6-chloro-5-propan-2-ylpyrimidin-4-yl)sulfanyl-5-methyl-1,3,4-thiadiazole?
The InChIKey is RUIUHRZHJUNUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4S2/c1-5(2)7-8(11)12-4-13-9(7)17-10-15-14-6(3)16-10/h4-5H,1-3H3.
What are the key properties of 2-(6-chloro-5-propan-2-ylpyrimidin-4-yl)sulfanyl-5-methyl-1,3,4-thiadiazole?
2-(6-chloro-5-propan-2-ylpyrimidin-4-yl)sulfanyl-5-methyl-1,3,4-thiadiazole has a molecular weight of 286.81 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-5-propan-2-ylpyrimidin-4-yl)sulfanyl-5-methyl-1,3,4-thiadiazole is sourced from PubChem (CID 63731024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).