5-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-3,6-dimethylimidazo[2,1-b][1,3]thiazole

C19H15N5S2 — CID 118258074

IUPAC5-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-3,6-dimethylimidazo[2,1-b][1,3]thiazole
SMILESCc1nc2scc(C)n2c1-c1nc(-c2ccccc2)c(-c2ncc[nH]2)s1
InChIInChI=1S/C19H15N5S2/c1-11-10-25-19-22-12(2)15(24(11)19)18-23-14(13-6-4-3-5-7-13)16(26-18)17-20-8-9-21-17/h3-10H,1-2H3,(H,20,21)
InChIKeyTYWYBIAJCSTADS-UHFFFAOYSA-N
MW377.50 g/mol
LogP5.19
Rot. Bonds3

About 5-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-3,6-dimethylimidazo[2,1-b][1,3]thiazole

5-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-3,6-dimethylimidazo[2,1-b][1,3]thiazole (PubChem CID 118258074) has the molecular formula C19H15N5S2 and a molecular weight of 377.50 g/mol. Its IUPAC name is 5-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-3,6-dimethylimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name5-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-3,6-dimethylimidazo[2,1-b][1,3]thiazole
PubChem CID118258074
Molecular FormulaC19H15N5S2
Molecular Weight377.50 g/mol
Exact Mass377.08
IUPAC Name5-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-3,6-dimethylimidazo[2,1-b][1,3]thiazole
SMILESCc1nc2scc(C)n2c1-c1nc(-c2ccccc2)c(-c2ncc[nH]2)s1
InChIInChI=1S/C19H15N5S2/c1-11-10-25-19-22-12(2)15(24(11)19)18-23-14(13-6-4-3-5-7-13)16(26-18)17-20-8-9-21-17/h3-10H,1-2H3,(H,20,21)
InChIKeyTYWYBIAJCSTADS-UHFFFAOYSA-N
XLogP5.19
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.50
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-3,6-dimethylimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 5-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-3,6-dimethylimidazo[2,1-b][1,3]thiazole (CID 118258074) is 5-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-3,6-dimethylimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 5-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-3,6-dimethylimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 5-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-3,6-dimethylimidazo[2,1-b][1,3]thiazole is Cc1nc2scc(C)n2c1-c1nc(-c2ccccc2)c(-c2ncc[nH]2)s1.
What is the InChIKey of 5-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-3,6-dimethylimidazo[2,1-b][1,3]thiazole?
The InChIKey is TYWYBIAJCSTADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5S2/c1-11-10-25-19-22-12(2)15(24(11)19)18-23-14(13-6-4-3-5-7-13)16(26-18)17-20-8-9-21-17/h3-10H,1-2H3,(H,20,21).
What are the key properties of 5-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-3,6-dimethylimidazo[2,1-b][1,3]thiazole?
5-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-3,6-dimethylimidazo[2,1-b][1,3]thiazole has a molecular weight of 377.50 g/mol, XLogP of 5.19, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(1H-imidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-3,6-dimethylimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 118258074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).