5-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-6-methylimidazo[2,1-b][1,3]thiazole

C17H15N3S2 — CID 4658652

IUPAC5-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-6-methylimidazo[2,1-b][1,3]thiazole
SMILESCc1ccc(-c2csc(-c3c(C)nc4sccn34)n2)cc1C
InChIInChI=1S/C17H15N3S2/c1-10-4-5-13(8-11(10)2)14-9-22-16(19-14)15-12(3)18-17-20(15)6-7-21-17/h4-9H,1-3H3
InChIKeyDICNIAJGZJIKMQ-UHFFFAOYSA-N
MW325.46 g/mol
LogP5.11
Rot. Bonds2

About 5-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-6-methylimidazo[2,1-b][1,3]thiazole

5-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-6-methylimidazo[2,1-b][1,3]thiazole (PubChem CID 4658652) has the molecular formula C17H15N3S2 and a molecular weight of 325.46 g/mol. Its IUPAC name is 5-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-6-methylimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name5-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-6-methylimidazo[2,1-b][1,3]thiazole
PubChem CID4658652
Molecular FormulaC17H15N3S2
Molecular Weight325.46 g/mol
Exact Mass325.07
IUPAC Name5-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-6-methylimidazo[2,1-b][1,3]thiazole
SMILESCc1ccc(-c2csc(-c3c(C)nc4sccn34)n2)cc1C
InChIInChI=1S/C17H15N3S2/c1-10-4-5-13(8-11(10)2)14-9-22-16(19-14)15-12(3)18-17-20(15)6-7-21-17/h4-9H,1-3H3
InChIKeyDICNIAJGZJIKMQ-UHFFFAOYSA-N
XLogP5.11
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.46
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-6-methylimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 5-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-6-methylimidazo[2,1-b][1,3]thiazole (CID 4658652) is 5-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-6-methylimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 5-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-6-methylimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 5-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-6-methylimidazo[2,1-b][1,3]thiazole is Cc1ccc(-c2csc(-c3c(C)nc4sccn34)n2)cc1C.
What is the InChIKey of 5-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-6-methylimidazo[2,1-b][1,3]thiazole?
The InChIKey is DICNIAJGZJIKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3S2/c1-10-4-5-13(8-11(10)2)14-9-22-16(19-14)15-12(3)18-17-20(15)6-7-21-17/h4-9H,1-3H3.
What are the key properties of 5-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-6-methylimidazo[2,1-b][1,3]thiazole?
5-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-6-methylimidazo[2,1-b][1,3]thiazole has a molecular weight of 325.46 g/mol, XLogP of 5.11, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-6-methylimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 4658652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).