N-[3-(3-methylphenoxy)phenyl]-3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carboxamide

C25H21N3O2S — CID 21285578

About N-[3-(3-methylphenoxy)phenyl]-3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carboxamide

N-[3-(3-methylphenoxy)phenyl]-3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carboxamide (PubChem CID 21285578) has the molecular formula C25H21N3O2S and a molecular weight of 427.53 g/mol. Its IUPAC name is N-[3-(3-methylphenoxy)phenyl]-3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carboxamide.

Molecular Properties

• Compound Name: N-[3-(3-methylphenoxy)phenyl]-3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carboxamide
• PubChem CID: 21285578
• Molecular Formula: C25H21N3O2S
• Molecular Weight: 427.53 g/mol
• Exact Mass: 427.14
• IUPAC Name: N-[3-(3-methylphenoxy)phenyl]-3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carboxamide
• SMILES: Cc1cccc(Oc2cccc(NC(=O)c3ccn4c3CSC4c3cccnc3)c2)c1
• InChI: InChI=1S/C25H21N3O2S/c1-17-5-2-8-20(13-17)30-21-9-3-7-19(14-21)27-24(29)22-10-12-28-23(22)16-31-25(28)18-6-4-11-26-15-18/h2-15,25H,16H2,1H3,(H,27,29)
• InChIKey: MTMGLDZBRUORRD-UHFFFAOYSA-N
• XLogP: 6.03
• TPSA: 56.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	427.53
LogP ≤ 5	6.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methylphenoxy)phenyl]-3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carboxamide?

The IUPAC name of N-[3-(3-methylphenoxy)phenyl]-3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carboxamide (CID 21285578) is N-[3-(3-methylphenoxy)phenyl]-3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carboxamide.

What is the SMILES notation for N-[3-(3-methylphenoxy)phenyl]-3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carboxamide?

The canonical SMILES for N-[3-(3-methylphenoxy)phenyl]-3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carboxamide is Cc1cccc(Oc2cccc(NC(=O)c3ccn4c3CSC4c3cccnc3)c2)c1.

What is the InChIKey of N-[3-(3-methylphenoxy)phenyl]-3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carboxamide?

The InChIKey is MTMGLDZBRUORRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O2S/c1-17-5-2-8-20(13-17)30-21-9-3-7-19(14-21)27-24(29)22-10-12-28-23(22)16-31-25(28)18-6-4-11-26-15-18/h2-15,25H,16H2,1H3,(H,27,29).

What are the key properties of N-[3-(3-methylphenoxy)phenyl]-3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carboxamide?

N-[3-(3-methylphenoxy)phenyl]-3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carboxamide has a molecular weight of 427.53 g/mol, XLogP of 6.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(3-methylphenoxy)phenyl]-3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carboxamide is sourced from PubChem (CID 21285578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).