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

C16H17N3OS — CID 3610143

IUPAC3-methyl-6-phenyl-N-propan-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxamide
SMILESCc1c(C(=O)NC(C)C)sc2nc(-c3ccccc3)cn12
InChIInChI=1S/C16H17N3OS/c1-10(2)17-15(20)14-11(3)19-9-13(18-16(19)21-14)12-7-5-4-6-8-12/h4-10H,1-3H3,(H,17,20)
InChIKeyLBLGCJSMFWUNAA-UHFFFAOYSA-N
MW299.40 g/mol
LogP3.51
Rot. Bonds3

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

3-methyl-6-phenyl-N-propan-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxamide (PubChem CID 3610143) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is 3-methyl-6-phenyl-N-propan-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxamide.

Molecular Properties

Compound Name3-methyl-6-phenyl-N-propan-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxamide
PubChem CID3610143
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC Name3-methyl-6-phenyl-N-propan-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxamide
SMILESCc1c(C(=O)NC(C)C)sc2nc(-c3ccccc3)cn12
InChIInChI=1S/C16H17N3OS/c1-10(2)17-15(20)14-11(3)19-9-13(18-16(19)21-14)12-7-5-4-6-8-12/h4-10H,1-3H3,(H,17,20)
InChIKeyLBLGCJSMFWUNAA-UHFFFAOYSA-N
XLogP3.51
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-phenyl-N-propan-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxamide?
The IUPAC name of 3-methyl-6-phenyl-N-propan-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxamide (CID 3610143) is 3-methyl-6-phenyl-N-propan-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxamide.
What is the SMILES notation for 3-methyl-6-phenyl-N-propan-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxamide?
The canonical SMILES for 3-methyl-6-phenyl-N-propan-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxamide is Cc1c(C(=O)NC(C)C)sc2nc(-c3ccccc3)cn12.
What is the InChIKey of 3-methyl-6-phenyl-N-propan-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxamide?
The InChIKey is LBLGCJSMFWUNAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS/c1-10(2)17-15(20)14-11(3)19-9-13(18-16(19)21-14)12-7-5-4-6-8-12/h4-10H,1-3H3,(H,17,20).
What are the key properties of 3-methyl-6-phenyl-N-propan-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxamide?
3-methyl-6-phenyl-N-propan-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxamide has a molecular weight of 299.40 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-phenyl-N-propan-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxamide is sourced from PubChem (CID 3610143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).