3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide

C13H11N3OS — CID 3245664

IUPAC3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide
SMILESCc1c(C(N)=O)sc2nc(-c3ccccc3)cn12
InChIInChI=1S/C13H11N3OS/c1-8-11(12(14)17)18-13-15-10(7-16(8)13)9-5-3-2-4-6-9/h2-7H,1H3,(H2,14,17)
InChIKeyQAFMPWBLZJDHBD-UHFFFAOYSA-N
MW257.32 g/mol
LogP2.47
Rot. Bonds2

About 3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide

3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide (PubChem CID 3245664) has the molecular formula C13H11N3OS and a molecular weight of 257.32 g/mol. Its IUPAC name is 3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide.

Molecular Properties

Compound Name3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide
PubChem CID3245664
Molecular FormulaC13H11N3OS
Molecular Weight257.32 g/mol
Exact Mass257.06
IUPAC Name3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide
SMILESCc1c(C(N)=O)sc2nc(-c3ccccc3)cn12
InChIInChI=1S/C13H11N3OS/c1-8-11(12(14)17)18-13-15-10(7-16(8)13)9-5-3-2-4-6-9/h2-7H,1H3,(H2,14,17)
InChIKeyQAFMPWBLZJDHBD-UHFFFAOYSA-N
XLogP2.47
TPSA60.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide?
The IUPAC name of 3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide (CID 3245664) is 3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide.
What is the SMILES notation for 3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide?
The canonical SMILES for 3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide is Cc1c(C(N)=O)sc2nc(-c3ccccc3)cn12.
What is the InChIKey of 3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide?
The InChIKey is QAFMPWBLZJDHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3OS/c1-8-11(12(14)17)18-13-15-10(7-16(8)13)9-5-3-2-4-6-9/h2-7H,1H3,(H2,14,17).
What are the key properties of 3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide?
3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide has a molecular weight of 257.32 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide is sourced from PubChem (CID 3245664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).