4-amino-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methyl-4-phenylbutan-2-one

C16H17N3OS — CID 116599074

IUPAC4-amino-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methyl-4-phenylbutan-2-one
SMILESCC(C(=O)Cc1cn2ccsc2n1)C(N)c1ccccc1
InChIInChI=1S/C16H17N3OS/c1-11(15(17)12-5-3-2-4-6-12)14(20)9-13-10-19-7-8-21-16(19)18-13/h2-8,10-11,15H,9,17H2,1H3
InChIKeyKEZVKKVPTOBTBZ-UHFFFAOYSA-N
MW299.40 g/mol
LogP2.84
Rot. Bonds5

About 4-amino-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methyl-4-phenylbutan-2-one

4-amino-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methyl-4-phenylbutan-2-one (PubChem CID 116599074) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is 4-amino-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methyl-4-phenylbutan-2-one.

Molecular Properties

Compound Name4-amino-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methyl-4-phenylbutan-2-one
PubChem CID116599074
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC Name4-amino-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methyl-4-phenylbutan-2-one
SMILESCC(C(=O)Cc1cn2ccsc2n1)C(N)c1ccccc1
InChIInChI=1S/C16H17N3OS/c1-11(15(17)12-5-3-2-4-6-12)14(20)9-13-10-19-7-8-21-16(19)18-13/h2-8,10-11,15H,9,17H2,1H3
InChIKeyKEZVKKVPTOBTBZ-UHFFFAOYSA-N
XLogP2.84
TPSA60.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methylbutan-2-one
CID 116564675
3-(aminomethyl)-1-imidazo[2,1-b][1,3]thiazol-6-yl-4-methylpentan-2-one
CID 116574100
4-amino-1-imidazo[2,1-b][1,3]thiazol-6-ylpentan-2-one
CID 116556049
3-cyclopropyl-1-imidazo[2,1-b][1,3]thiazol-6-ylbutan-2-one
CID 115792010
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-phenylacetamide
CID 4623847
3-(azetidin-3-yl)-1-imidazo[2,1-b][1,3]thiazol-6-ylbutan-2-one
CID 116680767
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methyl-3-(1-phenylethyl)guanidine;hydroiodide
CID 110949083
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(4-propan-2-ylphenyl)ethanamine
CID 115333398
1-imidazo[2,1-b][1,3]thiazol-6-yl-3-propan-2-yloxypropan-2-one
CID 105123189
6-(3-chloro-3-phenylpropyl)imidazo[2,1-b][1,3]thiazole
CID 113289290
2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-phenylbutanoic acid
CID 115332527
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(1R)-1-(2-methoxyphenyl)ethyl]-N-methylacetamide
CID 97021277

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methyl-4-phenylbutan-2-one?
The IUPAC name of 4-amino-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methyl-4-phenylbutan-2-one (CID 116599074) is 4-amino-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methyl-4-phenylbutan-2-one.
What is the SMILES notation for 4-amino-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methyl-4-phenylbutan-2-one?
The canonical SMILES for 4-amino-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methyl-4-phenylbutan-2-one is CC(C(=O)Cc1cn2ccsc2n1)C(N)c1ccccc1.
What is the InChIKey of 4-amino-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methyl-4-phenylbutan-2-one?
The InChIKey is KEZVKKVPTOBTBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS/c1-11(15(17)12-5-3-2-4-6-12)14(20)9-13-10-19-7-8-21-16(19)18-13/h2-8,10-11,15H,9,17H2,1H3.
What are the key properties of 4-amino-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methyl-4-phenylbutan-2-one?
4-amino-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methyl-4-phenylbutan-2-one has a molecular weight of 299.40 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methyl-4-phenylbutan-2-one is sourced from PubChem (CID 116599074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).