1-imidazo[2,1-b][1,3]thiazol-6-yl-4-pyridin-3-ylbutan-2-one

C14H13N3OS — CID 105123036

IUPAC1-imidazo[2,1-b][1,3]thiazol-6-yl-4-pyridin-3-ylbutan-2-one
SMILESO=C(CCc1cccnc1)Cc1cn2ccsc2n1
InChIInChI=1S/C14H13N3OS/c18-13(4-3-11-2-1-5-15-9-11)8-12-10-17-6-7-19-14(17)16-12/h1-2,5-7,9-10H,3-4,8H2
InChIKeyYALRDHKPCJZSMK-UHFFFAOYSA-N
MW271.35 g/mol
LogP2.54
Rot. Bonds5

About 1-imidazo[2,1-b][1,3]thiazol-6-yl-4-pyridin-3-ylbutan-2-one

1-imidazo[2,1-b][1,3]thiazol-6-yl-4-pyridin-3-ylbutan-2-one (PubChem CID 105123036) has the molecular formula C14H13N3OS and a molecular weight of 271.35 g/mol. Its IUPAC name is 1-imidazo[2,1-b][1,3]thiazol-6-yl-4-pyridin-3-ylbutan-2-one.

Molecular Properties

Compound Name1-imidazo[2,1-b][1,3]thiazol-6-yl-4-pyridin-3-ylbutan-2-one
PubChem CID105123036
Molecular FormulaC14H13N3OS
Molecular Weight271.35 g/mol
Exact Mass271.08
IUPAC Name1-imidazo[2,1-b][1,3]thiazol-6-yl-4-pyridin-3-ylbutan-2-one
SMILESO=C(CCc1cccnc1)Cc1cn2ccsc2n1
InChIInChI=1S/C14H13N3OS/c18-13(4-3-11-2-1-5-15-9-11)8-12-10-17-6-7-19-14(17)16-12/h1-2,5-7,9-10H,3-4,8H2
InChIKeyYALRDHKPCJZSMK-UHFFFAOYSA-N
XLogP2.54
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-3-pyridin-3-ylpropanamide
CID 90652526
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-(pyridin-3-ylmethyl)acetamide
CID 35511835
1-(3-bromophenyl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one
CID 113289109
1-(3,4-dimethylphenyl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one
CID 115333101
1-pyridin-3-yl-4-pyridin-4-ylbutan-2-one
CID 105127753
1-imidazo[2,1-b][1,3]thiazol-6-yl-4-(2,2,2-trifluoroethoxy)butan-2-one
CID 103146878
2-imidazo[2,1-b][1,3]thiazol-6-yl-1-(3-methyl-2-pyridinyl)ethanone
CID 113289114
N-(2-aminoethyl)-2-imidazo[2,1-b][1,3]thiazol-6-yl-N-(2-phenylethyl)acetamide;hydrochloride
CID 120884629
1-(1-cyclopentylpyrazol-3-yl)-4-pyridin-3-ylbutan-2-one
CID 105107258
1-amino-4-pyridin-3-ylbutan-2-one
CID 82414894
4-amino-1-imidazo[2,1-b][1,3]thiazol-6-ylpentan-2-one
CID 116556049
N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-4-pyridin-3-ylpyrimidin-2-amine
CID 72839271

Frequently Asked Questions

What is the IUPAC name of 1-imidazo[2,1-b][1,3]thiazol-6-yl-4-pyridin-3-ylbutan-2-one?
The IUPAC name of 1-imidazo[2,1-b][1,3]thiazol-6-yl-4-pyridin-3-ylbutan-2-one (CID 105123036) is 1-imidazo[2,1-b][1,3]thiazol-6-yl-4-pyridin-3-ylbutan-2-one.
What is the SMILES notation for 1-imidazo[2,1-b][1,3]thiazol-6-yl-4-pyridin-3-ylbutan-2-one?
The canonical SMILES for 1-imidazo[2,1-b][1,3]thiazol-6-yl-4-pyridin-3-ylbutan-2-one is O=C(CCc1cccnc1)Cc1cn2ccsc2n1.
What is the InChIKey of 1-imidazo[2,1-b][1,3]thiazol-6-yl-4-pyridin-3-ylbutan-2-one?
The InChIKey is YALRDHKPCJZSMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c18-13(4-3-11-2-1-5-15-9-11)8-12-10-17-6-7-19-14(17)16-12/h1-2,5-7,9-10H,3-4,8H2.
What are the key properties of 1-imidazo[2,1-b][1,3]thiazol-6-yl-4-pyridin-3-ylbutan-2-one?
1-imidazo[2,1-b][1,3]thiazol-6-yl-4-pyridin-3-ylbutan-2-one has a molecular weight of 271.35 g/mol, XLogP of 2.54, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imidazo[2,1-b][1,3]thiazol-6-yl-4-pyridin-3-ylbutan-2-one is sourced from PubChem (CID 105123036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).