N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-(methylamino)propanamide

C15H16N4OS — CID 62639517

IUPACN-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-(methylamino)propanamide
SMILESCNC(C)C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1
InChIInChI=1S/C15H16N4OS/c1-10(16-2)14(20)17-12-5-3-11(4-6-12)13-9-19-7-8-21-15(19)18-13/h3-10,16H,1-2H3,(H,17,20)
InChIKeyPAMPTFRXNBOCTN-UHFFFAOYSA-N
MW300.39 g/mol
LogP2.61
Rot. Bonds4

About N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-(methylamino)propanamide

N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-(methylamino)propanamide (PubChem CID 62639517) has the molecular formula C15H16N4OS and a molecular weight of 300.39 g/mol. Its IUPAC name is N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-(methylamino)propanamide.

Molecular Properties

Compound NameN-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-(methylamino)propanamide
PubChem CID62639517
Molecular FormulaC15H16N4OS
Molecular Weight300.39 g/mol
Exact Mass300.10
IUPAC NameN-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-(methylamino)propanamide
SMILESCNC(C)C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1
InChIInChI=1S/C15H16N4OS/c1-10(16-2)14(20)17-12-5-3-11(4-6-12)13-9-19-7-8-21-15(19)18-13/h3-10,16H,1-2H3,(H,17,20)
InChIKeyPAMPTFRXNBOCTN-UHFFFAOYSA-N
XLogP2.61
TPSA58.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-(methylamino)propanamide?
The IUPAC name of N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-(methylamino)propanamide (CID 62639517) is N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-(methylamino)propanamide.
What is the SMILES notation for N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-(methylamino)propanamide?
The canonical SMILES for N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-(methylamino)propanamide is CNC(C)C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1.
What is the InChIKey of N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-(methylamino)propanamide?
The InChIKey is PAMPTFRXNBOCTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4OS/c1-10(16-2)14(20)17-12-5-3-11(4-6-12)13-9-19-7-8-21-15(19)18-13/h3-10,16H,1-2H3,(H,17,20).
What are the key properties of N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-(methylamino)propanamide?
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-(methylamino)propanamide has a molecular weight of 300.39 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-(methylamino)propanamide is sourced from PubChem (CID 62639517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).