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

C12H12N4S2 — CID 768656

IUPAC6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole
SMILESCc1cc(C)nc(SCc2cn3ccsc3n2)n1
InChIInChI=1S/C12H12N4S2/c1-8-5-9(2)14-11(13-8)18-7-10-6-16-3-4-17-12(16)15-10/h3-6H,7H2,1-2H3
InChIKeyOOXPKURZDWIWQX-UHFFFAOYSA-N
MW276.39 g/mol
LogP3.09
Rot. Bonds3

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

6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole (PubChem CID 768656) has the molecular formula C12H12N4S2 and a molecular weight of 276.39 g/mol. Its IUPAC name is 6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole
PubChem CID768656
Molecular FormulaC12H12N4S2
Molecular Weight276.39 g/mol
Exact Mass276.05
IUPAC Name6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole
SMILESCc1cc(C)nc(SCc2cn3ccsc3n2)n1
InChIInChI=1S/C12H12N4S2/c1-8-5-9(2)14-11(13-8)18-7-10-6-16-3-4-17-12(16)15-10/h3-6H,7H2,1-2H3
InChIKeyOOXPKURZDWIWQX-UHFFFAOYSA-N
XLogP3.09
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.39
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5,7-Dimethyl-2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine
CID 3509877
2-(6-Ethyl-5-methyl-7-methylsulfanylimidazo[1,2-a]pyrimidin-2-yl)-4-methyl-1,3-thiazole
CID 14234972
5,7-Dimethyl-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine
CID 2999197
5,7-Dimethyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine
CID 4304138
Thiazolo(3,2-a)pyrimidin-4-ium, 5,7-dimethyl-, perchlorate
CID 206750
6-(Pyridin-2-yl)imidazo[2,1-b]thiazole
CID 13436903
4-[(E)-2-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]pyrimidin-2-amine
CID 44587324
4-[(E)-2-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]pyrimidin-2-amine
CID 44587325
N,N-dimethyl-N'-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N'-(pyridin-2-ylmethyl)propane-1,3-diamine
CID 46961942
6-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-ylmethyl)imidazo[2,1-b][1,3]thiazole
CID 53573517
6-[(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]imidazo[2,1-b][1,3]thiazole
CID 53625724
6-[(2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]imidazo[2,1-b][1,3]thiazole
CID 72144307

Frequently Asked Questions

What is the IUPAC name of 6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole (CID 768656) is 6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole is Cc1cc(C)nc(SCc2cn3ccsc3n2)n1.
What is the InChIKey of 6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole?
The InChIKey is OOXPKURZDWIWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4S2/c1-8-5-9(2)14-11(13-8)18-7-10-6-16-3-4-17-12(16)15-10/h3-6H,7H2,1-2H3.
What are the key properties of 6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole?
6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole has a molecular weight of 276.39 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 768656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).