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

C16H17N3OS — CID 852132

IUPACN-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1ccc(-c2cn3ccsc3n2)cc1
InChIInChI=1S/C16H17N3OS/c1-11(2)9-15(20)17-13-5-3-12(4-6-13)14-10-19-7-8-21-16(19)18-14/h3-8,10-11H,9H2,1-2H3,(H,17,20)
InChIKeyOOYUXDPRVIHAEV-UHFFFAOYSA-N
MW299.40 g/mol
LogP4.05
Rot. Bonds4

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

N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-methylbutanamide (PubChem CID 852132) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-methylbutanamide.

Molecular Properties

Compound NameN-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-methylbutanamide
PubChem CID852132
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC NameN-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1ccc(-c2cn3ccsc3n2)cc1
InChIInChI=1S/C16H17N3OS/c1-11(2)9-15(20)17-13-5-3-12(4-6-13)14-10-19-7-8-21-16(19)18-14/h3-8,10-11H,9H2,1-2H3,(H,17,20)
InChIKeyOOYUXDPRVIHAEV-UHFFFAOYSA-N
XLogP4.05
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-methylbutanamide?
The IUPAC name of N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-methylbutanamide (CID 852132) is N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-methylbutanamide.
What is the SMILES notation for N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-methylbutanamide?
The canonical SMILES for N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-methylbutanamide is CC(C)CC(=O)Nc1ccc(-c2cn3ccsc3n2)cc1.
What is the InChIKey of N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-methylbutanamide?
The InChIKey is OOYUXDPRVIHAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS/c1-11(2)9-15(20)17-13-5-3-12(4-6-13)14-10-19-7-8-21-16(19)18-14/h3-8,10-11H,9H2,1-2H3,(H,17,20).
What are the key properties of N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-methylbutanamide?
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-methylbutanamide has a molecular weight of 299.40 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-methylbutanamide is sourced from PubChem (CID 852132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).