3-[3-(1,3-benzothiazol-2-ylamino)cyclobutyl]-1-cyclopropylimidazo[4,5-b]pyridin-2-one

C20H19N5OS — CID 71735448

IUPAC3-[3-(1,3-benzothiazol-2-ylamino)cyclobutyl]-1-cyclopropylimidazo[4,5-b]pyridin-2-one
SMILESO=c1n(C2CC2)c2cccnc2n1C1CC(Nc2nc3ccccc3s2)C1
InChIInChI=1S/C20H19N5OS/c26-20-24(13-7-8-13)16-5-3-9-21-18(16)25(20)14-10-12(11-14)22-19-23-15-4-1-2-6-17(15)27-19/h1-6,9,12-14H,7-8,10-11H2,(H,22,23)
InChIKeyCOSQVDVQPBTQBZ-UHFFFAOYSA-N
MW377.47 g/mol
LogP3.96
Rot. Bonds4

About 3-[3-(1,3-benzothiazol-2-ylamino)cyclobutyl]-1-cyclopropylimidazo[4,5-b]pyridin-2-one

3-[3-(1,3-benzothiazol-2-ylamino)cyclobutyl]-1-cyclopropylimidazo[4,5-b]pyridin-2-one (PubChem CID 71735448) has the molecular formula C20H19N5OS and a molecular weight of 377.47 g/mol. Its IUPAC name is 3-[3-(1,3-benzothiazol-2-ylamino)cyclobutyl]-1-cyclopropylimidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name3-[3-(1,3-benzothiazol-2-ylamino)cyclobutyl]-1-cyclopropylimidazo[4,5-b]pyridin-2-one
PubChem CID71735448
Molecular FormulaC20H19N5OS
Molecular Weight377.47 g/mol
Exact Mass377.13
IUPAC Name3-[3-(1,3-benzothiazol-2-ylamino)cyclobutyl]-1-cyclopropylimidazo[4,5-b]pyridin-2-one
SMILESO=c1n(C2CC2)c2cccnc2n1C1CC(Nc2nc3ccccc3s2)C1
InChIInChI=1S/C20H19N5OS/c26-20-24(13-7-8-13)16-5-3-9-21-18(16)25(20)14-10-12(11-14)22-19-23-15-4-1-2-6-17(15)27-19/h1-6,9,12-14H,7-8,10-11H2,(H,22,23)
InChIKeyCOSQVDVQPBTQBZ-UHFFFAOYSA-N
XLogP3.96
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[3-(1,3-benzothiazol-2-ylamino)cyclobutyl]-1-cyclopropylimidazo[4,5-b]pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(1,3-benzothiazol-2-ylamino)cyclobutyl]-3-methylbenzimidazol-2-one
CID 86694233
1-methyl-3-[3-[(1-methylbenzimidazol-2-yl)amino]cyclobutyl]imidazo[4,5-b]pyridin-2-one
CID 86694221
1-cyclopropyl-3-[3-(quinazolin-2-ylamino)cyclobutyl]imidazo[4,5-b]pyrazin-2-one
CID 86694293
N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-1,3-benzothiazol-2-amine
CID 133347839
N-[3-(2,2-dioxo-1-propan-2-yl-[1,2,5]thiadiazolo[3,4-b]pyridin-3-yl)cyclobutyl]-1,3-benzothiazol-2-amine
CID 154077982
N-(1-cyclopropylpyrrolidin-3-yl)-1,3-benzothiazol-2-amine
CID 47807742
N-(3-methylcyclohexyl)-1,3-benzothiazol-2-amine
CID 43317154
N-cyclopent-3-en-1-yl-1,3-benzothiazol-2-amine
CID 115695581
N-[3-[(3-cyclohexyl-2-pyridinyl)oxy]cyclobutyl]-1,3-benzothiazol-2-amine
CID 58548636
N-(1-pyridazin-3-ylpiperidin-4-yl)-1,3-benzothiazol-2-amine
CID 167960032
1-cyclopropyl-3-[3-[[5-(morpholine-4-carbonyl)-1,3-thiazol-2-yl]amino]cyclobutyl]imidazo[4,5-b]pyrazin-2-one
CID 71735608
N-(3-butan-2-ylcyclobutyl)-1,3-benzothiazol-2-amine
CID 123863996

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1,3-benzothiazol-2-ylamino)cyclobutyl]-1-cyclopropylimidazo[4,5-b]pyridin-2-one?
The IUPAC name of 3-[3-(1,3-benzothiazol-2-ylamino)cyclobutyl]-1-cyclopropylimidazo[4,5-b]pyridin-2-one (CID 71735448) is 3-[3-(1,3-benzothiazol-2-ylamino)cyclobutyl]-1-cyclopropylimidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 3-[3-(1,3-benzothiazol-2-ylamino)cyclobutyl]-1-cyclopropylimidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 3-[3-(1,3-benzothiazol-2-ylamino)cyclobutyl]-1-cyclopropylimidazo[4,5-b]pyridin-2-one is O=c1n(C2CC2)c2cccnc2n1C1CC(Nc2nc3ccccc3s2)C1.
What is the InChIKey of 3-[3-(1,3-benzothiazol-2-ylamino)cyclobutyl]-1-cyclopropylimidazo[4,5-b]pyridin-2-one?
The InChIKey is COSQVDVQPBTQBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5OS/c26-20-24(13-7-8-13)16-5-3-9-21-18(16)25(20)14-10-12(11-14)22-19-23-15-4-1-2-6-17(15)27-19/h1-6,9,12-14H,7-8,10-11H2,(H,22,23).
What are the key properties of 3-[3-(1,3-benzothiazol-2-ylamino)cyclobutyl]-1-cyclopropylimidazo[4,5-b]pyridin-2-one?
3-[3-(1,3-benzothiazol-2-ylamino)cyclobutyl]-1-cyclopropylimidazo[4,5-b]pyridin-2-one has a molecular weight of 377.47 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1,3-benzothiazol-2-ylamino)cyclobutyl]-1-cyclopropylimidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 71735448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).