2-(3,4-dimethoxyphenyl)-6-(2-methylsulfinylpyrimidin-5-yl)imidazo[2,1-b][1,3,4]thiadiazole

C17H15N5O3S2 — CID 67283619

IUPAC2-(3,4-dimethoxyphenyl)-6-(2-methylsulfinylpyrimidin-5-yl)imidazo[2,1-b][1,3,4]thiadiazole
SMILESCOc1ccc(-c2nn3cc(-c4cnc(S(C)=O)nc4)nc3s2)cc1OC
InChIInChI=1S/C17H15N5O3S2/c1-24-13-5-4-10(6-14(13)25-2)15-21-22-9-12(20-17(22)26-15)11-7-18-16(19-8-11)27(3)23/h4-9H,1-3H3
InChIKeyJNQIQOOHZKIFGE-UHFFFAOYSA-N
MW401.47 g/mol
LogP2.67
Rot. Bonds5

About 2-(3,4-dimethoxyphenyl)-6-(2-methylsulfinylpyrimidin-5-yl)imidazo[2,1-b][1,3,4]thiadiazole

2-(3,4-dimethoxyphenyl)-6-(2-methylsulfinylpyrimidin-5-yl)imidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 67283619) has the molecular formula C17H15N5O3S2 and a molecular weight of 401.47 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-6-(2-methylsulfinylpyrimidin-5-yl)imidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-6-(2-methylsulfinylpyrimidin-5-yl)imidazo[2,1-b][1,3,4]thiadiazole
PubChem CID67283619
Molecular FormulaC17H15N5O3S2
Molecular Weight401.47 g/mol
Exact Mass401.06
IUPAC Name2-(3,4-dimethoxyphenyl)-6-(2-methylsulfinylpyrimidin-5-yl)imidazo[2,1-b][1,3,4]thiadiazole
SMILESCOc1ccc(-c2nn3cc(-c4cnc(S(C)=O)nc4)nc3s2)cc1OC
InChIInChI=1S/C17H15N5O3S2/c1-24-13-5-4-10(6-14(13)25-2)15-21-22-9-12(20-17(22)26-15)11-7-18-16(19-8-11)27(3)23/h4-9H,1-3H3
InChIKeyJNQIQOOHZKIFGE-UHFFFAOYSA-N
XLogP2.67
TPSA91.50 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

2,6-bis(3,4-didodecoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 102198249
6-(4-bromophenyl)-2-(4-ethoxy-3,5-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 3045321
5-[2-(3,4-dimethoxyphenyl)-1H-imidazol-5-yl]-2-methylsulfinylpyrimidine
CID 174640688
N-[(3,4-dimethoxyphenyl)methyl]-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 133462771
[2-(4-methoxy-3-methylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]methanamine
CID 96669638
5-[2-(3,4-dimethoxyphenyl)-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]pyrimidin-2-amine
CID 66717058
5-[2-(3,4-dimethoxyphenyl)-5-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl]pyrimidin-2-amine
CID 66717059
6-(3,4-dimethoxyphenyl)-N-(oxan-4-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 67336601
6-(3-bromo-4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 95910749
2-(3,4-dimethoxyphenyl)-5-(3-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 90359967
6-(3,4-dimethoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 92914193
2-(4-methoxyphenoxy)-N-[2-methoxy-5-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]acetamide
CID 17163116

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-6-(2-methylsulfinylpyrimidin-5-yl)imidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-6-(2-methylsulfinylpyrimidin-5-yl)imidazo[2,1-b][1,3,4]thiadiazole (CID 67283619) is 2-(3,4-dimethoxyphenyl)-6-(2-methylsulfinylpyrimidin-5-yl)imidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-6-(2-methylsulfinylpyrimidin-5-yl)imidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-6-(2-methylsulfinylpyrimidin-5-yl)imidazo[2,1-b][1,3,4]thiadiazole is COc1ccc(-c2nn3cc(-c4cnc(S(C)=O)nc4)nc3s2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-6-(2-methylsulfinylpyrimidin-5-yl)imidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is JNQIQOOHZKIFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O3S2/c1-24-13-5-4-10(6-14(13)25-2)15-21-22-9-12(20-17(22)26-15)11-7-18-16(19-8-11)27(3)23/h4-9H,1-3H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-6-(2-methylsulfinylpyrimidin-5-yl)imidazo[2,1-b][1,3,4]thiadiazole?
2-(3,4-dimethoxyphenyl)-6-(2-methylsulfinylpyrimidin-5-yl)imidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 401.47 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-6-(2-methylsulfinylpyrimidin-5-yl)imidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 67283619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).