3-methyl-6-phenyl-N-(pyridin-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide

C19H16N4OS — CID 5310093

IUPAC3-methyl-6-phenyl-N-(pyridin-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide
SMILESCc1c(C(=O)NCc2cccnc2)sc2nc(-c3ccccc3)cn12
InChIInChI=1S/C19H16N4OS/c1-13-17(18(24)21-11-14-6-5-9-20-10-14)25-19-22-16(12-23(13)19)15-7-3-2-4-8-15/h2-10,12H,11H2,1H3,(H,21,24)
InChIKeyPHMJCWUETBWFEB-UHFFFAOYSA-N
MW348.43 g/mol
LogP3.70
Rot. Bonds4

About 3-methyl-6-phenyl-N-(pyridin-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide

3-methyl-6-phenyl-N-(pyridin-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide (PubChem CID 5310093) has the molecular formula C19H16N4OS and a molecular weight of 348.43 g/mol. Its IUPAC name is 3-methyl-6-phenyl-N-(pyridin-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide.

Molecular Properties

Compound Name3-methyl-6-phenyl-N-(pyridin-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide
PubChem CID5310093
Molecular FormulaC19H16N4OS
Molecular Weight348.43 g/mol
Exact Mass348.10
IUPAC Name3-methyl-6-phenyl-N-(pyridin-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide
SMILESCc1c(C(=O)NCc2cccnc2)sc2nc(-c3ccccc3)cn12
InChIInChI=1S/C19H16N4OS/c1-13-17(18(24)21-11-14-6-5-9-20-10-14)25-19-22-16(12-23(13)19)15-7-3-2-4-8-15/h2-10,12H,11H2,1H3,(H,21,24)
InChIKeyPHMJCWUETBWFEB-UHFFFAOYSA-N
XLogP3.70
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 53.70
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-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide?
The IUPAC name of 3-methyl-6-phenyl-N-(pyridin-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide (CID 5310093) is 3-methyl-6-phenyl-N-(pyridin-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide.
What is the SMILES notation for 3-methyl-6-phenyl-N-(pyridin-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide?
The canonical SMILES for 3-methyl-6-phenyl-N-(pyridin-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide is Cc1c(C(=O)NCc2cccnc2)sc2nc(-c3ccccc3)cn12.
What is the InChIKey of 3-methyl-6-phenyl-N-(pyridin-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide?
The InChIKey is PHMJCWUETBWFEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4OS/c1-13-17(18(24)21-11-14-6-5-9-20-10-14)25-19-22-16(12-23(13)19)15-7-3-2-4-8-15/h2-10,12H,11H2,1H3,(H,21,24).
What are the key properties of 3-methyl-6-phenyl-N-(pyridin-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide?
3-methyl-6-phenyl-N-(pyridin-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide has a molecular weight of 348.43 g/mol, XLogP of 3.70, 4 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-3-ylmethyl)imidazo[2,1-b][1,3]thiazole-2-carboxamide is sourced from PubChem (CID 5310093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).