4-chloro-5-methyl-2-(5-methylsulfanyl-3-pyridinyl)-1,3-thiazole

C10H9ClN2S2 — CID 118944877

IUPAC4-chloro-5-methyl-2-(5-methylsulfanyl-3-pyridinyl)-1,3-thiazole
SMILESCSc1cncc(-c2nc(Cl)c(C)s2)c1
InChIInChI=1S/C10H9ClN2S2/c1-6-9(11)13-10(15-6)7-3-8(14-2)5-12-4-7/h3-5H,1-2H3
InChIKeyGKLMGSXYSBNFFS-UHFFFAOYSA-N
MW256.78 g/mol
LogP3.89
Rot. Bonds2

About 4-chloro-5-methyl-2-(5-methylsulfanyl-3-pyridinyl)-1,3-thiazole

4-chloro-5-methyl-2-(5-methylsulfanyl-3-pyridinyl)-1,3-thiazole (PubChem CID 118944877) has the molecular formula C10H9ClN2S2 and a molecular weight of 256.78 g/mol. Its IUPAC name is 4-chloro-5-methyl-2-(5-methylsulfanyl-3-pyridinyl)-1,3-thiazole.

Molecular Properties

Compound Name4-chloro-5-methyl-2-(5-methylsulfanyl-3-pyridinyl)-1,3-thiazole
PubChem CID118944877
Molecular FormulaC10H9ClN2S2
Molecular Weight256.78 g/mol
Exact Mass255.99
IUPAC Name4-chloro-5-methyl-2-(5-methylsulfanyl-3-pyridinyl)-1,3-thiazole
SMILESCSc1cncc(-c2nc(Cl)c(C)s2)c1
InChIInChI=1S/C10H9ClN2S2/c1-6-9(11)13-10(15-6)7-3-8(14-2)5-12-4-7/h3-5H,1-2H3
InChIKeyGKLMGSXYSBNFFS-UHFFFAOYSA-N
XLogP3.89
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.78
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-methyl-2-(5-methylsulfanyl-3-pyridinyl)-1,3-thiazole?
The IUPAC name of 4-chloro-5-methyl-2-(5-methylsulfanyl-3-pyridinyl)-1,3-thiazole (CID 118944877) is 4-chloro-5-methyl-2-(5-methylsulfanyl-3-pyridinyl)-1,3-thiazole.
What is the SMILES notation for 4-chloro-5-methyl-2-(5-methylsulfanyl-3-pyridinyl)-1,3-thiazole?
The canonical SMILES for 4-chloro-5-methyl-2-(5-methylsulfanyl-3-pyridinyl)-1,3-thiazole is CSc1cncc(-c2nc(Cl)c(C)s2)c1.
What is the InChIKey of 4-chloro-5-methyl-2-(5-methylsulfanyl-3-pyridinyl)-1,3-thiazole?
The InChIKey is GKLMGSXYSBNFFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2S2/c1-6-9(11)13-10(15-6)7-3-8(14-2)5-12-4-7/h3-5H,1-2H3.
What are the key properties of 4-chloro-5-methyl-2-(5-methylsulfanyl-3-pyridinyl)-1,3-thiazole?
4-chloro-5-methyl-2-(5-methylsulfanyl-3-pyridinyl)-1,3-thiazole has a molecular weight of 256.78 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-methyl-2-(5-methylsulfanyl-3-pyridinyl)-1,3-thiazole is sourced from PubChem (CID 118944877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).