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

C13H13BrN4S2 — CID 1385082

IUPAC5-bromo-6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-3-methylimidazo[2,1-b][1,3]thiazole
SMILESCc1cc(C)nc(SCc2nc3scc(C)n3c2Br)n1
InChIInChI=1S/C13H13BrN4S2/c1-7-4-8(2)16-12(15-7)19-6-10-11(14)18-9(3)5-20-13(18)17-10/h4-5H,6H2,1-3H3
InChIKeyAZXHOWSIPDPIOH-UHFFFAOYSA-N
MW369.31 g/mol
LogP4.17
Rot. Bonds3

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

5-bromo-6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-3-methylimidazo[2,1-b][1,3]thiazole (PubChem CID 1385082) has the molecular formula C13H13BrN4S2 and a molecular weight of 369.31 g/mol. Its IUPAC name is 5-bromo-6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-3-methylimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name5-bromo-6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-3-methylimidazo[2,1-b][1,3]thiazole
PubChem CID1385082
Molecular FormulaC13H13BrN4S2
Molecular Weight369.31 g/mol
Exact Mass367.98
IUPAC Name5-bromo-6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-3-methylimidazo[2,1-b][1,3]thiazole
SMILESCc1cc(C)nc(SCc2nc3scc(C)n3c2Br)n1
InChIInChI=1S/C13H13BrN4S2/c1-7-4-8(2)16-12(15-7)19-6-10-11(14)18-9(3)5-20-13(18)17-10/h4-5H,6H2,1-3H3
InChIKeyAZXHOWSIPDPIOH-UHFFFAOYSA-N
XLogP4.17
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.31
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-bromo-6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-3-methylimidazo[2,1-b][1,3]thiazole with MolForge

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Related Compounds

3-Bromo-2-(4,6-dimethyl-pyrimidin-2-ylsulfanylmethyl)-5,7-dimethyl-imidazo[1,2-a]pyrimidine
CID 1548111
6-{[(4,6-Dimethylpyrimidin-2-yl)sulfanyl]methyl}-3-methylimidazo[2,1-b][1,3]thiazole
CID 700769
2-(Imidazo[2,1-b]1,3-thiazolin-6-ylmethylthio)-4,6-dimethylpyrimidine
CID 768656
6-(4,6-Dimethylpyrimidin-2-yl)sulfanylimidazo[2,1-b][1,3]thiazole
CID 804229
5-Bromo-6-(((4,6-dimethylpyrimidin-2-yl)thio)methyl)imidazo[2,1-b]thiazole
CID 1391452
N-[(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-4,6-dimethylpyrimidin-2-amine
CID 3341379
N-[(E)-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-4,6-dimethylpyrimidin-2-amine
CID 9665083
5-Chloro-6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-3-methylimidazo[2,1-b][1,3]thiazole
CID 702061
N-[(Z)-(3,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]-4,6-dimethylpyrimidin-2-amine
CID 5798067
5-Bromo-4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-methyl-1,3-thiazole
CID 34320429
2-[(5-Bromoimidazo[2,1-b]1,3-thiazolin-6-yl)methylthio]-4-methylpyrimidine
CID 34394694
2-[(5-Bromo-3-methylimidazo[2,1-b]1,3-thiazolin-6-yl)methylthio]-4-methylpyrim idine
CID 34394701

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-3-methylimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 5-bromo-6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-3-methylimidazo[2,1-b][1,3]thiazole (CID 1385082) is 5-bromo-6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-3-methylimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 5-bromo-6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-3-methylimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 5-bromo-6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-3-methylimidazo[2,1-b][1,3]thiazole is Cc1cc(C)nc(SCc2nc3scc(C)n3c2Br)n1.
What is the InChIKey of 5-bromo-6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-3-methylimidazo[2,1-b][1,3]thiazole?
The InChIKey is AZXHOWSIPDPIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN4S2/c1-7-4-8(2)16-12(15-7)19-6-10-11(14)18-9(3)5-20-13(18)17-10/h4-5H,6H2,1-3H3.
What are the key properties of 5-bromo-6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-3-methylimidazo[2,1-b][1,3]thiazole?
5-bromo-6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-3-methylimidazo[2,1-b][1,3]thiazole has a molecular weight of 369.31 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-3-methylimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 1385082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).