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

C11H13ClN4S2 — CID 80978200

IUPAC2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanyl-5-methyl-1,3,4-thiadiazole
SMILESCCCc1nc(Cl)c(C)c(Sc2nnc(C)s2)n1
InChIInChI=1S/C11H13ClN4S2/c1-4-5-8-13-9(12)6(2)10(14-8)18-11-16-15-7(3)17-11/h4-5H2,1-3H3
InChIKeyLLENTNPAOMJAHJ-UHFFFAOYSA-N
MW300.84 g/mol
LogP3.70
Rot. Bonds4

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

2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanyl-5-methyl-1,3,4-thiadiazole (PubChem CID 80978200) has the molecular formula C11H13ClN4S2 and a molecular weight of 300.84 g/mol. Its IUPAC name is 2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanyl-5-methyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanyl-5-methyl-1,3,4-thiadiazole
PubChem CID80978200
Molecular FormulaC11H13ClN4S2
Molecular Weight300.84 g/mol
Exact Mass300.03
IUPAC Name2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanyl-5-methyl-1,3,4-thiadiazole
SMILESCCCc1nc(Cl)c(C)c(Sc2nnc(C)s2)n1
InChIInChI=1S/C11H13ClN4S2/c1-4-5-8-13-9(12)6(2)10(14-8)18-11-16-15-7(3)17-11/h4-5H2,1-3H3
InChIKeyLLENTNPAOMJAHJ-UHFFFAOYSA-N
XLogP3.70
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.84
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanyl-4,5,6-trimethylpyrimidine
CID 80970894
4-chloro-5-methyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-propylpyrimidine
CID 80978202
2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanylpyrimidine-4,6-diamine
CID 80978525
2,5-dimethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-4-amine
CID 80885910
2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one
CID 80978680
4-(3-bromophenyl)sulfanyl-6-chloro-5-methyl-2-propylpyrimidine
CID 80978438
2-[(4,6-dichloro-1,3,5-triazin-2-yl)sulfanyl]-5-methyl-1,3,4-thiadiazole
CID 62870633
3-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanyl-[1,2,4]triazolo[4,3-a]pyridine
CID 80970201
N-ethyl-5-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-4-amine
CID 80886545
2-cyclopropyl-5-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpyrimidin-4-amine
CID 80990210
4-chloro-5-methyl-2-propyl-6-(2,2,2-trifluoroethoxy)pyrimidine
CID 80972973
3-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanylbutan-1-ol
CID 80978719

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanyl-5-methyl-1,3,4-thiadiazole?
The IUPAC name of 2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanyl-5-methyl-1,3,4-thiadiazole (CID 80978200) is 2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanyl-5-methyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanyl-5-methyl-1,3,4-thiadiazole?
The canonical SMILES for 2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanyl-5-methyl-1,3,4-thiadiazole is CCCc1nc(Cl)c(C)c(Sc2nnc(C)s2)n1.
What is the InChIKey of 2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanyl-5-methyl-1,3,4-thiadiazole?
The InChIKey is LLENTNPAOMJAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4S2/c1-4-5-8-13-9(12)6(2)10(14-8)18-11-16-15-7(3)17-11/h4-5H2,1-3H3.
What are the key properties of 2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanyl-5-methyl-1,3,4-thiadiazole?
2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanyl-5-methyl-1,3,4-thiadiazole has a molecular weight of 300.84 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanyl-5-methyl-1,3,4-thiadiazole is sourced from PubChem (CID 80978200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).