1-[3-(1,3-benzothiazol-2-ylamino)cyclobutyl]-3-methylbenzimidazol-2-one

C19H18N4OS — CID 86694233

IUPAC1-[3-(1,3-benzothiazol-2-ylamino)cyclobutyl]-3-methylbenzimidazol-2-one
SMILESCn1c(=O)n(C2CC(Nc3nc4ccccc4s3)C2)c2ccccc21
InChIInChI=1S/C19H18N4OS/c1-22-15-7-3-4-8-16(15)23(19(22)24)13-10-12(11-13)20-18-21-14-6-2-5-9-17(14)25-18/h2-9,12-13H,10-11H2,1H3,(H,20,21)
InChIKeyYBZWHQSPAKIDNU-UHFFFAOYSA-N
MW350.45 g/mol
LogP3.77
Rot. Bonds3

About 1-[3-(1,3-benzothiazol-2-ylamino)cyclobutyl]-3-methylbenzimidazol-2-one

1-[3-(1,3-benzothiazol-2-ylamino)cyclobutyl]-3-methylbenzimidazol-2-one (PubChem CID 86694233) has the molecular formula C19H18N4OS and a molecular weight of 350.45 g/mol. Its IUPAC name is 1-[3-(1,3-benzothiazol-2-ylamino)cyclobutyl]-3-methylbenzimidazol-2-one.

Molecular Properties

Compound Name1-[3-(1,3-benzothiazol-2-ylamino)cyclobutyl]-3-methylbenzimidazol-2-one
PubChem CID86694233
Molecular FormulaC19H18N4OS
Molecular Weight350.45 g/mol
Exact Mass350.12
IUPAC Name1-[3-(1,3-benzothiazol-2-ylamino)cyclobutyl]-3-methylbenzimidazol-2-one
SMILESCn1c(=O)n(C2CC(Nc3nc4ccccc4s3)C2)c2ccccc21
InChIInChI=1S/C19H18N4OS/c1-22-15-7-3-4-8-16(15)23(19(22)24)13-10-12(11-13)20-18-21-14-6-2-5-9-17(14)25-18/h2-9,12-13H,10-11H2,1H3,(H,20,21)
InChIKeyYBZWHQSPAKIDNU-UHFFFAOYSA-N
XLogP3.77
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.45
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[3-(1,3-benzothiazol-2-ylamino)cyclobutyl]-3-methylbenzimidazol-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

3-[3-(1,3-benzothiazol-2-ylamino)cyclobutyl]-1-cyclopropylimidazo[4,5-b]pyridin-2-one
CID 71735448
N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-1,3-benzothiazol-2-amine
CID 133347839
N-cyclopent-3-en-1-yl-1,3-benzothiazol-2-amine
CID 115695581
N-(3-butan-2-ylcyclobutyl)-1,3-benzothiazol-2-amine
CID 123863996
N-(3-methylcyclohexyl)-1,3-benzothiazol-2-amine
CID 43317154
1-[1-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl]piperidin-4-yl]-3-methylbenzimidazol-2-one
CID 11190909
N-(1-cyclopropylpyrrolidin-3-yl)-1,3-benzothiazol-2-amine
CID 47807742
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
3-(1,3-benzothiazol-2-ylamino)-1-ethylpyrrolidine-2,5-dione
CID 43636502
N-[(3R)-1-ethylpiperidin-3-yl]-1,3-benzothiazol-2-amine
CID 51983203
5-chloro-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1,3-benzothiazol-2-amine
CID 65470712
N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]-1,3-benzothiazol-2-amine
CID 133330150

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1,3-benzothiazol-2-ylamino)cyclobutyl]-3-methylbenzimidazol-2-one?
The IUPAC name of 1-[3-(1,3-benzothiazol-2-ylamino)cyclobutyl]-3-methylbenzimidazol-2-one (CID 86694233) is 1-[3-(1,3-benzothiazol-2-ylamino)cyclobutyl]-3-methylbenzimidazol-2-one.
What is the SMILES notation for 1-[3-(1,3-benzothiazol-2-ylamino)cyclobutyl]-3-methylbenzimidazol-2-one?
The canonical SMILES for 1-[3-(1,3-benzothiazol-2-ylamino)cyclobutyl]-3-methylbenzimidazol-2-one is Cn1c(=O)n(C2CC(Nc3nc4ccccc4s3)C2)c2ccccc21.
What is the InChIKey of 1-[3-(1,3-benzothiazol-2-ylamino)cyclobutyl]-3-methylbenzimidazol-2-one?
The InChIKey is YBZWHQSPAKIDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4OS/c1-22-15-7-3-4-8-16(15)23(19(22)24)13-10-12(11-13)20-18-21-14-6-2-5-9-17(14)25-18/h2-9,12-13H,10-11H2,1H3,(H,20,21).
What are the key properties of 1-[3-(1,3-benzothiazol-2-ylamino)cyclobutyl]-3-methylbenzimidazol-2-one?
1-[3-(1,3-benzothiazol-2-ylamino)cyclobutyl]-3-methylbenzimidazol-2-one has a molecular weight of 350.45 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1,3-benzothiazol-2-ylamino)cyclobutyl]-3-methylbenzimidazol-2-one is sourced from PubChem (CID 86694233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).