7-chloro-1,3-benzothiazol-6-amine;7-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-1,3-benzothiazol-5-amine

C17H14Cl2N6S2 — CID 159131353

IUPAC7-chloro-1,3-benzothiazol-6-amine;7-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-1,3-benzothiazol-5-amine
SMILESClc1cc(NC2=NCCN2)cc2ncsc12.Nc1ccc2ncsc2c1Cl
InChIInChI=1S/C10H9ClN4S.C7H5ClN2S/c11-7-3-6(15-10-12-1-2-13-10)4-8-9(7)16-5-14-8;8-6-4(9)1-2-5-7(6)11-3-10-5/h3-5H,1-2H2,(H2,12,13,15);1-3H,9H2
InChIKeyKGXYPHIHFNFKIH-UHFFFAOYSA-N
MW437.38 g/mol
LogP4.85
Rot. Bonds1

About 7-chloro-1,3-benzothiazol-6-amine;7-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-1,3-benzothiazol-5-amine

7-chloro-1,3-benzothiazol-6-amine;7-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-1,3-benzothiazol-5-amine (PubChem CID 159131353) has the molecular formula C17H14Cl2N6S2 and a molecular weight of 437.38 g/mol. Its IUPAC name is 7-chloro-1,3-benzothiazol-6-amine;7-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-1,3-benzothiazol-5-amine.

Molecular Properties

Compound Name7-chloro-1,3-benzothiazol-6-amine;7-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-1,3-benzothiazol-5-amine
PubChem CID159131353
Molecular FormulaC17H14Cl2N6S2
Molecular Weight437.38 g/mol
Exact Mass436.01
IUPAC Name7-chloro-1,3-benzothiazol-6-amine;7-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-1,3-benzothiazol-5-amine
SMILESClc1cc(NC2=NCCN2)cc2ncsc12.Nc1ccc2ncsc2c1Cl
InChIInChI=1S/C10H9ClN4S.C7H5ClN2S/c11-7-3-6(15-10-12-1-2-13-10)4-8-9(7)16-5-14-8;8-6-4(9)1-2-5-7(6)11-3-10-5/h3-5H,1-2H2,(H2,12,13,15);1-3H,9H2
InChIKeyKGXYPHIHFNFKIH-UHFFFAOYSA-N
XLogP4.85
TPSA88.22 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.38
LogP ≤ 54.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 7-chloro-1,3-benzothiazol-6-amine;7-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-1,3-benzothiazol-5-amine 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

2,4-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,3-diamine;2,4-dichloro-3-N-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,3-diamine;dihydrochloride
CID 173410610
2-chloro-3-N-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,3-diamine
CID 125427077
2,6-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,4-diamine
CID 138491779
4-chloro-3-N-(4,5-dihydro-1H-imidazol-2-yl)-6-fluorobenzene-1,3-diamine
CID 139945187
N-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-1,3-benzothiazol-6-amine
CID 18343053
N-(4,5-dihydro-1H-imidazol-2-yl)-4-ethyl-1,3-benzothiazol-6-amine
CID 18343052
N-(4,5-dihydro-1H-imidazol-2-yl)-2,1,3-benzoxadiazol-5-amine
CID 13189706
5-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amine
CID 3086326
2-chloro-4-(4,5-dihydro-1H-imidazol-2-ylamino)-N-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]benzamide
CID 122189110
5-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-2,1,3-benzothiadiazol-4-amine;methane
CID 162246950
2,6-dichloro-1-N-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,4-diamine;phosphoric acid
CID 155256199
ethane;N-phenyl-4,5-dihydro-1H-imidazol-2-amine
CID 90984879

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1,3-benzothiazol-6-amine;7-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-1,3-benzothiazol-5-amine?
The IUPAC name of 7-chloro-1,3-benzothiazol-6-amine;7-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-1,3-benzothiazol-5-amine (CID 159131353) is 7-chloro-1,3-benzothiazol-6-amine;7-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-1,3-benzothiazol-5-amine.
What is the SMILES notation for 7-chloro-1,3-benzothiazol-6-amine;7-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-1,3-benzothiazol-5-amine?
The canonical SMILES for 7-chloro-1,3-benzothiazol-6-amine;7-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-1,3-benzothiazol-5-amine is Clc1cc(NC2=NCCN2)cc2ncsc12.Nc1ccc2ncsc2c1Cl.
What is the InChIKey of 7-chloro-1,3-benzothiazol-6-amine;7-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-1,3-benzothiazol-5-amine?
The InChIKey is KGXYPHIHFNFKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4S.C7H5ClN2S/c11-7-3-6(15-10-12-1-2-13-10)4-8-9(7)16-5-14-8;8-6-4(9)1-2-5-7(6)11-3-10-5/h3-5H,1-2H2,(H2,12,13,15);1-3H,9H2.
What are the key properties of 7-chloro-1,3-benzothiazol-6-amine;7-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-1,3-benzothiazol-5-amine?
7-chloro-1,3-benzothiazol-6-amine;7-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-1,3-benzothiazol-5-amine has a molecular weight of 437.38 g/mol, XLogP of 4.85, 1 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1,3-benzothiazol-6-amine;7-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-1,3-benzothiazol-5-amine is sourced from PubChem (CID 159131353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).