3-methyl-6-phenyl-N-pyridin-4-ylimidazo[2,1-b][1,3]thiazole-2-carboxamide

C18H14N4OS — CID 3679021

IUPAC3-methyl-6-phenyl-N-pyridin-4-ylimidazo[2,1-b][1,3]thiazole-2-carboxamide
SMILESCc1c(C(=O)Nc2ccncc2)sc2nc(-c3ccccc3)cn12
InChIInChI=1S/C18H14N4OS/c1-12-16(17(23)20-14-7-9-19-10-8-14)24-18-21-15(11-22(12)18)13-5-3-2-4-6-13/h2-11H,1H3,(H,19,20,23)
InChIKeyXVXIIXYUAZVULU-UHFFFAOYSA-N
MW334.40 g/mol
LogP4.02
Rot. Bonds3

About 3-methyl-6-phenyl-N-pyridin-4-ylimidazo[2,1-b][1,3]thiazole-2-carboxamide

3-methyl-6-phenyl-N-pyridin-4-ylimidazo[2,1-b][1,3]thiazole-2-carboxamide (PubChem CID 3679021) has the molecular formula C18H14N4OS and a molecular weight of 334.40 g/mol. Its IUPAC name is 3-methyl-6-phenyl-N-pyridin-4-ylimidazo[2,1-b][1,3]thiazole-2-carboxamide.

Molecular Properties

Compound Name3-methyl-6-phenyl-N-pyridin-4-ylimidazo[2,1-b][1,3]thiazole-2-carboxamide
PubChem CID3679021
Molecular FormulaC18H14N4OS
Molecular Weight334.40 g/mol
Exact Mass334.09
IUPAC Name3-methyl-6-phenyl-N-pyridin-4-ylimidazo[2,1-b][1,3]thiazole-2-carboxamide
SMILESCc1c(C(=O)Nc2ccncc2)sc2nc(-c3ccccc3)cn12
InChIInChI=1S/C18H14N4OS/c1-12-16(17(23)20-14-7-9-19-10-8-14)24-18-21-15(11-22(12)18)13-5-3-2-4-6-13/h2-11H,1H3,(H,19,20,23)
InChIKeyXVXIIXYUAZVULU-UHFFFAOYSA-N
XLogP4.02
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-phenyl-N-pyridin-4-ylimidazo[2,1-b][1,3]thiazole-2-carboxamide?
The IUPAC name of 3-methyl-6-phenyl-N-pyridin-4-ylimidazo[2,1-b][1,3]thiazole-2-carboxamide (CID 3679021) is 3-methyl-6-phenyl-N-pyridin-4-ylimidazo[2,1-b][1,3]thiazole-2-carboxamide.
What is the SMILES notation for 3-methyl-6-phenyl-N-pyridin-4-ylimidazo[2,1-b][1,3]thiazole-2-carboxamide?
The canonical SMILES for 3-methyl-6-phenyl-N-pyridin-4-ylimidazo[2,1-b][1,3]thiazole-2-carboxamide is Cc1c(C(=O)Nc2ccncc2)sc2nc(-c3ccccc3)cn12.
What is the InChIKey of 3-methyl-6-phenyl-N-pyridin-4-ylimidazo[2,1-b][1,3]thiazole-2-carboxamide?
The InChIKey is XVXIIXYUAZVULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4OS/c1-12-16(17(23)20-14-7-9-19-10-8-14)24-18-21-15(11-22(12)18)13-5-3-2-4-6-13/h2-11H,1H3,(H,19,20,23).
What are the key properties of 3-methyl-6-phenyl-N-pyridin-4-ylimidazo[2,1-b][1,3]thiazole-2-carboxamide?
3-methyl-6-phenyl-N-pyridin-4-ylimidazo[2,1-b][1,3]thiazole-2-carboxamide has a molecular weight of 334.40 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-phenyl-N-pyridin-4-ylimidazo[2,1-b][1,3]thiazole-2-carboxamide is sourced from PubChem (CID 3679021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).