4-amino-1-imidazo[2,1-b][1,3]thiazol-6-ylpentan-2-one

C10H13N3OS — CID 116556049

IUPAC4-amino-1-imidazo[2,1-b][1,3]thiazol-6-ylpentan-2-one
SMILESCC(N)CC(=O)Cc1cn2ccsc2n1
InChIInChI=1S/C10H13N3OS/c1-7(11)4-9(14)5-8-6-13-2-3-15-10(13)12-8/h2-3,6-7H,4-5,11H2,1H3
InChIKeyPTGMPIYIOMEDJR-UHFFFAOYSA-N
MW223.30 g/mol
LogP1.24
Rot. Bonds4

About 4-amino-1-imidazo[2,1-b][1,3]thiazol-6-ylpentan-2-one

4-amino-1-imidazo[2,1-b][1,3]thiazol-6-ylpentan-2-one (PubChem CID 116556049) has the molecular formula C10H13N3OS and a molecular weight of 223.30 g/mol. Its IUPAC name is 4-amino-1-imidazo[2,1-b][1,3]thiazol-6-ylpentan-2-one.

Molecular Properties

Compound Name4-amino-1-imidazo[2,1-b][1,3]thiazol-6-ylpentan-2-one
PubChem CID116556049
Molecular FormulaC10H13N3OS
Molecular Weight223.30 g/mol
Exact Mass223.08
IUPAC Name4-amino-1-imidazo[2,1-b][1,3]thiazol-6-ylpentan-2-one
SMILESCC(N)CC(=O)Cc1cn2ccsc2n1
InChIInChI=1S/C10H13N3OS/c1-7(11)4-9(14)5-8-6-13-2-3-15-10(13)12-8/h2-3,6-7H,4-5,11H2,1H3
InChIKeyPTGMPIYIOMEDJR-UHFFFAOYSA-N
XLogP1.24
TPSA60.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.30
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-imidazo[2,1-b][1,3]thiazol-6-yl-3-propan-2-yloxypropan-2-one
CID 105123189
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
1-imidazo[2,1-b][1,3]thiazol-6-yl-4-methoxybutan-2-one
CID 115333077
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfinyl)propan-2-amine
CID 115335464
4-amino-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methyl-4-phenylbutan-2-one
CID 116599074
1-(2-aminoethoxy)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one
CID 116591105
3-cyclopropyl-1-imidazo[2,1-b][1,3]thiazol-6-ylbutan-2-one
CID 115792010
1-imidazo[2,1-b][1,3]thiazol-6-yl-4-methylpentan-2-amine
CID 115333412
3-amino-4,4,4-trifluoro-1-imidazo[2,1-b][1,3]thiazol-6-yl-3-methylbutan-2-one
CID 116593154
1-(3,4-dimethylphenyl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one
CID 115333101
3-(azetidin-3-yl)-1-imidazo[2,1-b][1,3]thiazol-6-ylbutan-2-one
CID 116680767

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-imidazo[2,1-b][1,3]thiazol-6-ylpentan-2-one?
The IUPAC name of 4-amino-1-imidazo[2,1-b][1,3]thiazol-6-ylpentan-2-one (CID 116556049) is 4-amino-1-imidazo[2,1-b][1,3]thiazol-6-ylpentan-2-one.
What is the SMILES notation for 4-amino-1-imidazo[2,1-b][1,3]thiazol-6-ylpentan-2-one?
The canonical SMILES for 4-amino-1-imidazo[2,1-b][1,3]thiazol-6-ylpentan-2-one is CC(N)CC(=O)Cc1cn2ccsc2n1.
What is the InChIKey of 4-amino-1-imidazo[2,1-b][1,3]thiazol-6-ylpentan-2-one?
The InChIKey is PTGMPIYIOMEDJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3OS/c1-7(11)4-9(14)5-8-6-13-2-3-15-10(13)12-8/h2-3,6-7H,4-5,11H2,1H3.
What are the key properties of 4-amino-1-imidazo[2,1-b][1,3]thiazol-6-ylpentan-2-one?
4-amino-1-imidazo[2,1-b][1,3]thiazol-6-ylpentan-2-one has a molecular weight of 223.30 g/mol, XLogP of 1.24, 4 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-ylpentan-2-one is sourced from PubChem (CID 116556049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).