6-methyl-N-[(2-phenoxyphenyl)methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide

C20H17N3O2S — CID 155564865

IUPAC6-methyl-N-[(2-phenoxyphenyl)methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCc1nc2sccn2c1C(=O)NCc1ccccc1Oc1ccccc1
InChIInChI=1S/C20H17N3O2S/c1-14-18(23-11-12-26-20(23)22-14)19(24)21-13-15-7-5-6-10-17(15)25-16-8-3-2-4-9-16/h2-12H,13H2,1H3,(H,21,24)
InChIKeyMXIKBVCVPRXEJX-UHFFFAOYSA-N
MW363.44 g/mol
LogP4.43
Rot. Bonds5

About 6-methyl-N-[(2-phenoxyphenyl)methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide

6-methyl-N-[(2-phenoxyphenyl)methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide (PubChem CID 155564865) has the molecular formula C20H17N3O2S and a molecular weight of 363.44 g/mol. Its IUPAC name is 6-methyl-N-[(2-phenoxyphenyl)methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[(2-phenoxyphenyl)methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
PubChem CID155564865
Molecular FormulaC20H17N3O2S
Molecular Weight363.44 g/mol
Exact Mass363.10
IUPAC Name6-methyl-N-[(2-phenoxyphenyl)methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCc1nc2sccn2c1C(=O)NCc1ccccc1Oc1ccccc1
InChIInChI=1S/C20H17N3O2S/c1-14-18(23-11-12-26-20(23)22-14)19(24)21-13-15-7-5-6-10-17(15)25-16-8-3-2-4-9-16/h2-12H,13H2,1H3,(H,21,24)
InChIKeyMXIKBVCVPRXEJX-UHFFFAOYSA-N
XLogP4.43
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[(2-phenoxyphenyl)methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The IUPAC name of 6-methyl-N-[(2-phenoxyphenyl)methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide (CID 155564865) is 6-methyl-N-[(2-phenoxyphenyl)methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide.
What is the SMILES notation for 6-methyl-N-[(2-phenoxyphenyl)methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The canonical SMILES for 6-methyl-N-[(2-phenoxyphenyl)methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide is Cc1nc2sccn2c1C(=O)NCc1ccccc1Oc1ccccc1.
What is the InChIKey of 6-methyl-N-[(2-phenoxyphenyl)methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The InChIKey is MXIKBVCVPRXEJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2S/c1-14-18(23-11-12-26-20(23)22-14)19(24)21-13-15-7-5-6-10-17(15)25-16-8-3-2-4-9-16/h2-12H,13H2,1H3,(H,21,24).
What are the key properties of 6-methyl-N-[(2-phenoxyphenyl)methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
6-methyl-N-[(2-phenoxyphenyl)methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide has a molecular weight of 363.44 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[(2-phenoxyphenyl)methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 155564865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).