N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]butanamide

C16H17N3OS — CID 7151263

IUPACN-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]butanamide
SMILESCCCC(=O)Nc1cccc(-c2cn3c(C)csc3n2)c1
InChIInChI=1S/C16H17N3OS/c1-3-5-15(20)17-13-7-4-6-12(8-13)14-9-19-11(2)10-21-16(19)18-14/h4,6-10H,3,5H2,1-2H3,(H,17,20)
InChIKeyNIQBIAJOEMLLES-UHFFFAOYSA-N
MW299.40 g/mol
LogP4.11
Rot. Bonds4

About N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]butanamide

N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]butanamide (PubChem CID 7151263) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]butanamide.

Molecular Properties

Compound NameN-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]butanamide
PubChem CID7151263
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC NameN-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]butanamide
SMILESCCCC(=O)Nc1cccc(-c2cn3c(C)csc3n2)c1
InChIInChI=1S/C16H17N3OS/c1-3-5-15(20)17-13-7-4-6-12(8-13)14-9-19-11(2)10-21-16(19)18-14/h4,6-10H,3,5H2,1-2H3,(H,17,20)
InChIKeyNIQBIAJOEMLLES-UHFFFAOYSA-N
XLogP4.11
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 ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]butanamide?
The IUPAC name of N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]butanamide (CID 7151263) is N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]butanamide.
What is the SMILES notation for N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]butanamide?
The canonical SMILES for N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]butanamide is CCCC(=O)Nc1cccc(-c2cn3c(C)csc3n2)c1.
What is the InChIKey of N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]butanamide?
The InChIKey is NIQBIAJOEMLLES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS/c1-3-5-15(20)17-13-7-4-6-12(8-13)14-9-19-11(2)10-21-16(19)18-14/h4,6-10H,3,5H2,1-2H3,(H,17,20).
What are the key properties of N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]butanamide?
N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]butanamide has a molecular weight of 299.40 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]butanamide is sourced from PubChem (CID 7151263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).