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

C13H14N4S2 — CID 700769

IUPAC6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-3-methylimidazo[2,1-b][1,3]thiazole
SMILESCc1cc(C)nc(SCc2cn3c(C)csc3n2)n1
InChIInChI=1S/C13H14N4S2/c1-8-4-9(2)15-12(14-8)18-7-11-5-17-10(3)6-19-13(17)16-11/h4-6H,7H2,1-3H3
InChIKeyQAWPOYKIVYYYAB-UHFFFAOYSA-N
MW290.42 g/mol
LogP3.40
Rot. Bonds3

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

6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-3-methylimidazo[2,1-b][1,3]thiazole (PubChem CID 700769) has the molecular formula C13H14N4S2 and a molecular weight of 290.42 g/mol. Its IUPAC name is 6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-3-methylimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-3-methylimidazo[2,1-b][1,3]thiazole
PubChem CID700769
Molecular FormulaC13H14N4S2
Molecular Weight290.42 g/mol
Exact Mass290.07
IUPAC Name6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-3-methylimidazo[2,1-b][1,3]thiazole
SMILESCc1cc(C)nc(SCc2cn3c(C)csc3n2)n1
InChIInChI=1S/C13H14N4S2/c1-8-4-9(2)15-12(14-8)18-7-11-5-17-10(3)6-19-13(17)16-11/h4-6H,7H2,1-3H3
InChIKeyQAWPOYKIVYYYAB-UHFFFAOYSA-N
XLogP3.40
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.42
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4,6-Dimethyl-pyrimidin-2-ylsulfanylmethyl)-5,7-dimethyl-imidazo[1,2-a]pyrimidine
CID 915816
2-(6-Ethyl-5-methyl-7-methylsulfanylimidazo[1,2-a]pyrimidin-2-yl)-4-methyl-1,3-thiazole
CID 14234972
2-[(5,7-Dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-4,5-dihydro-1,3-thiazole
CID 2998062
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
4-[(E)-2-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)ethenyl]pyrimidin-2-amine
CID 44587324
6-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-ylmethyl)imidazo[2,1-b][1,3]thiazole
CID 53573517
4-methyl-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]pyrimidin-2-amine
CID 72890425
5-Bromo-6-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-3-methylimidazo[2,1-b][1,3]thiazole
CID 1385082
6-(Pyrimidin-2-ylsulfanylmethyl)imidazo[2,1-b][1,3]thiazole
CID 4447936
2-ethyl-4-{1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-imidazol-2-yl}pyrimidine
CID 56872847
2-[4-(1-Methylimidazol-2-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole
CID 90885050

Frequently Asked Questions

What is the IUPAC name of 6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-3-methylimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-3-methylimidazo[2,1-b][1,3]thiazole (CID 700769) is 6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-3-methylimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-3-methylimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-3-methylimidazo[2,1-b][1,3]thiazole is Cc1cc(C)nc(SCc2cn3c(C)csc3n2)n1.
What is the InChIKey of 6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-3-methylimidazo[2,1-b][1,3]thiazole?
The InChIKey is QAWPOYKIVYYYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4S2/c1-8-4-9(2)15-12(14-8)18-7-11-5-17-10(3)6-19-13(17)16-11/h4-6H,7H2,1-3H3.
What are the key properties of 6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-3-methylimidazo[2,1-b][1,3]thiazole?
6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-3-methylimidazo[2,1-b][1,3]thiazole has a molecular weight of 290.42 g/mol, XLogP of 3.40, 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]-3-methylimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 700769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).