5-chloro-6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole

C12H11ClN4S2 — CID 5067612

IUPAC5-chloro-6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole
SMILESCc1cc(C)nc(SCc2nc3sccn3c2Cl)n1
InChIInChI=1S/C12H11ClN4S2/c1-7-5-8(2)15-11(14-7)19-6-9-10(13)17-3-4-18-12(17)16-9/h3-5H,6H2,1-2H3
InChIKeyJKFPUHWDXQWVGL-UHFFFAOYSA-N
MW310.84 g/mol
LogP3.75
Rot. Bonds3

About 5-chloro-6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole

5-chloro-6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole (PubChem CID 5067612) has the molecular formula C12H11ClN4S2 and a molecular weight of 310.84 g/mol. Its IUPAC name is 5-chloro-6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name5-chloro-6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole
PubChem CID5067612
Molecular FormulaC12H11ClN4S2
Molecular Weight310.84 g/mol
Exact Mass310.01
IUPAC Name5-chloro-6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole
SMILESCc1cc(C)nc(SCc2nc3sccn3c2Cl)n1
InChIInChI=1S/C12H11ClN4S2/c1-7-5-8(2)15-11(14-7)19-6-9-10(13)17-3-4-18-12(17)16-9/h3-5H,6H2,1-2H3
InChIKeyJKFPUHWDXQWVGL-UHFFFAOYSA-N
XLogP3.75
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.84
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 5-chloro-6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole (CID 5067612) is 5-chloro-6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 5-chloro-6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 5-chloro-6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole is Cc1cc(C)nc(SCc2nc3sccn3c2Cl)n1.
What is the InChIKey of 5-chloro-6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole?
The InChIKey is JKFPUHWDXQWVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4S2/c1-7-5-8(2)15-11(14-7)19-6-9-10(13)17-3-4-18-12(17)16-9/h3-5H,6H2,1-2H3.
What are the key properties of 5-chloro-6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole?
5-chloro-6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole has a molecular weight of 310.84 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 5067612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).