cyclopropyl-[4-[4-[(4-methyl-1,3-benzothiazol-2-yl)amino]phenyl]phenyl]methanone

C24H20N2OS — CID 87369727

IUPACcyclopropyl-[4-[4-[(4-methyl-1,3-benzothiazol-2-yl)amino]phenyl]phenyl]methanone
SMILESCc1cccc2sc(Nc3ccc(-c4ccc(C(=O)C5CC5)cc4)cc3)nc12
InChIInChI=1S/C24H20N2OS/c1-15-3-2-4-21-22(15)26-24(28-21)25-20-13-11-17(12-14-20)16-5-7-18(8-6-16)23(27)19-9-10-19/h2-8,11-14,19H,9-10H2,1H3,(H,25,26)
InChIKeySJUCWDJWAUAROK-UHFFFAOYSA-N
MW384.50 g/mol
LogP6.61
Rot. Bonds5

About cyclopropyl-[4-[4-[(4-methyl-1,3-benzothiazol-2-yl)amino]phenyl]phenyl]methanone

cyclopropyl-[4-[4-[(4-methyl-1,3-benzothiazol-2-yl)amino]phenyl]phenyl]methanone (PubChem CID 87369727) has the molecular formula C24H20N2OS and a molecular weight of 384.50 g/mol. Its IUPAC name is cyclopropyl-[4-[4-[(4-methyl-1,3-benzothiazol-2-yl)amino]phenyl]phenyl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[4-[(4-methyl-1,3-benzothiazol-2-yl)amino]phenyl]phenyl]methanone
PubChem CID87369727
Molecular FormulaC24H20N2OS
Molecular Weight384.50 g/mol
Exact Mass384.13
IUPAC Namecyclopropyl-[4-[4-[(4-methyl-1,3-benzothiazol-2-yl)amino]phenyl]phenyl]methanone
SMILESCc1cccc2sc(Nc3ccc(-c4ccc(C(=O)C5CC5)cc4)cc3)nc12
InChIInChI=1S/C24H20N2OS/c1-15-3-2-4-21-22(15)26-24(28-21)25-20-13-11-17(12-14-20)16-5-7-18(8-6-16)23(27)19-9-10-19/h2-8,11-14,19H,9-10H2,1H3,(H,25,26)
InChIKeySJUCWDJWAUAROK-UHFFFAOYSA-N
XLogP6.61
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.50
LogP ≤ 56.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze cyclopropyl-[4-[4-[(4-methyl-1,3-benzothiazol-2-yl)amino]phenyl]phenyl]methanone 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

(2R)-2-[4-[4-[(4-methyl-1,3-benzothiazol-2-yl)amino]phenyl]benzoyl]cyclopentane-1-carboxylic acid
CID 88913543
carbonic acid;cyclopentyl-[4-[4-[(5,6-dimethyl-1,3-benzothiazol-2-yl)amino]phenyl]phenyl]methanone
CID 87370036
N-(4-fluorophenyl)-4-methyl-1,3-benzothiazol-2-amine
CID 78908944
N-[3-[(4-methyl-1,3-benzothiazol-2-yl)amino]phenyl]acetamide
CID 79129777
4-acetamido-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 974126
N-(4-methyl-1,3-benzothiazol-2-yl)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 24608180
N-(2-ethyl-6-methylphenyl)-4-methyl-1,3-benzothiazol-2-amine
CID 79147272
N-(2,6-dibromo-4-methylphenyl)-4-methyl-1,3-benzothiazol-2-amine
CID 79146492
[4-[4-(1,3-benzothiazol-2-ylamino)-3-fluorophenyl]phenyl]-cyclopropylmethanone;carbonic acid
CID 87369539
N-[2-[(4-methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]cyclohexanecarboxamide
CID 17400491
2-cyclohexyl-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
CID 43952212
4-methyl-N-(2,4,6-trichlorophenyl)-1,3-benzothiazol-2-amine
CID 79146236

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[4-[(4-methyl-1,3-benzothiazol-2-yl)amino]phenyl]phenyl]methanone?
The IUPAC name of cyclopropyl-[4-[4-[(4-methyl-1,3-benzothiazol-2-yl)amino]phenyl]phenyl]methanone (CID 87369727) is cyclopropyl-[4-[4-[(4-methyl-1,3-benzothiazol-2-yl)amino]phenyl]phenyl]methanone.
What is the SMILES notation for cyclopropyl-[4-[4-[(4-methyl-1,3-benzothiazol-2-yl)amino]phenyl]phenyl]methanone?
The canonical SMILES for cyclopropyl-[4-[4-[(4-methyl-1,3-benzothiazol-2-yl)amino]phenyl]phenyl]methanone is Cc1cccc2sc(Nc3ccc(-c4ccc(C(=O)C5CC5)cc4)cc3)nc12.
What is the InChIKey of cyclopropyl-[4-[4-[(4-methyl-1,3-benzothiazol-2-yl)amino]phenyl]phenyl]methanone?
The InChIKey is SJUCWDJWAUAROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2OS/c1-15-3-2-4-21-22(15)26-24(28-21)25-20-13-11-17(12-14-20)16-5-7-18(8-6-16)23(27)19-9-10-19/h2-8,11-14,19H,9-10H2,1H3,(H,25,26).
What are the key properties of cyclopropyl-[4-[4-[(4-methyl-1,3-benzothiazol-2-yl)amino]phenyl]phenyl]methanone?
cyclopropyl-[4-[4-[(4-methyl-1,3-benzothiazol-2-yl)amino]phenyl]phenyl]methanone has a molecular weight of 384.50 g/mol, XLogP of 6.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[4-[(4-methyl-1,3-benzothiazol-2-yl)amino]phenyl]phenyl]methanone is sourced from PubChem (CID 87369727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).