3-methyl-N-(6-methyl-2-pyridinyl)-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide

C19H16N4OS — CID 3240791

IUPAC3-methyl-N-(6-methyl-2-pyridinyl)-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide
SMILESCc1cccc(NC(=O)c2sc3nc(-c4ccccc4)cn3c2C)n1
InChIInChI=1S/C19H16N4OS/c1-12-7-6-10-16(20-12)22-18(24)17-13(2)23-11-15(21-19(23)25-17)14-8-4-3-5-9-14/h3-11H,1-2H3,(H,20,22,24)
InChIKeyYZQBEHJFOUBTLN-UHFFFAOYSA-N
MW348.43 g/mol
LogP4.33
Rot. Bonds3

About 3-methyl-N-(6-methyl-2-pyridinyl)-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide

3-methyl-N-(6-methyl-2-pyridinyl)-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide (PubChem CID 3240791) has the molecular formula C19H16N4OS and a molecular weight of 348.43 g/mol. Its IUPAC name is 3-methyl-N-(6-methyl-2-pyridinyl)-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(6-methyl-2-pyridinyl)-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide
PubChem CID3240791
Molecular FormulaC19H16N4OS
Molecular Weight348.43 g/mol
Exact Mass348.10
IUPAC Name3-methyl-N-(6-methyl-2-pyridinyl)-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide
SMILESCc1cccc(NC(=O)c2sc3nc(-c4ccccc4)cn3c2C)n1
InChIInChI=1S/C19H16N4OS/c1-12-7-6-10-16(20-12)22-18(24)17-13(2)23-11-15(21-19(23)25-17)14-8-4-3-5-9-14/h3-11H,1-2H3,(H,20,22,24)
InChIKeyYZQBEHJFOUBTLN-UHFFFAOYSA-N
XLogP4.33
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(6-methyl-2-pyridinyl)-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide?
The IUPAC name of 3-methyl-N-(6-methyl-2-pyridinyl)-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide (CID 3240791) is 3-methyl-N-(6-methyl-2-pyridinyl)-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide.
What is the SMILES notation for 3-methyl-N-(6-methyl-2-pyridinyl)-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide?
The canonical SMILES for 3-methyl-N-(6-methyl-2-pyridinyl)-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide is Cc1cccc(NC(=O)c2sc3nc(-c4ccccc4)cn3c2C)n1.
What is the InChIKey of 3-methyl-N-(6-methyl-2-pyridinyl)-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide?
The InChIKey is YZQBEHJFOUBTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4OS/c1-12-7-6-10-16(20-12)22-18(24)17-13(2)23-11-15(21-19(23)25-17)14-8-4-3-5-9-14/h3-11H,1-2H3,(H,20,22,24).
What are the key properties of 3-methyl-N-(6-methyl-2-pyridinyl)-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide?
3-methyl-N-(6-methyl-2-pyridinyl)-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide has a molecular weight of 348.43 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(6-methyl-2-pyridinyl)-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide is sourced from PubChem (CID 3240791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).