6-chloro-N-[2-[4-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]ethyl]-1,3-benzothiazol-2-amine

C18H17ClN4S2 — CID 46879521

IUPAC6-chloro-N-[2-[4-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]ethyl]-1,3-benzothiazol-2-amine
SMILESClc1ccc2nc(NCCc3ccc(NC4=NCCS4)cc3)sc2c1
InChIInChI=1S/C18H17ClN4S2/c19-13-3-6-15-16(11-13)25-18(23-15)20-8-7-12-1-4-14(5-2-12)22-17-21-9-10-24-17/h1-6,11H,7-10H2,(H,20,23)(H,21,22)
InChIKeyLIQAHKYFQKUQHB-UHFFFAOYSA-N
MW388.95 g/mol
LogP5.12
Rot. Bonds5

About 6-chloro-N-[2-[4-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]ethyl]-1,3-benzothiazol-2-amine

6-chloro-N-[2-[4-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]ethyl]-1,3-benzothiazol-2-amine (PubChem CID 46879521) has the molecular formula C18H17ClN4S2 and a molecular weight of 388.95 g/mol. Its IUPAC name is 6-chloro-N-[2-[4-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]ethyl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-chloro-N-[2-[4-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]ethyl]-1,3-benzothiazol-2-amine
PubChem CID46879521
Molecular FormulaC18H17ClN4S2
Molecular Weight388.95 g/mol
Exact Mass388.06
IUPAC Name6-chloro-N-[2-[4-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]ethyl]-1,3-benzothiazol-2-amine
SMILESClc1ccc2nc(NCCc3ccc(NC4=NCCS4)cc3)sc2c1
InChIInChI=1S/C18H17ClN4S2/c19-13-3-6-15-16(11-13)25-18(23-15)20-8-7-12-1-4-14(5-2-12)22-17-21-9-10-24-17/h1-6,11H,7-10H2,(H,20,23)(H,21,22)
InChIKeyLIQAHKYFQKUQHB-UHFFFAOYSA-N
XLogP5.12
TPSA49.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.95
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-chloro-N-[2-[4-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]ethyl]-1,3-benzothiazol-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-[4-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]ethyl]-1,3-benzothiazol-2-amine?
The IUPAC name of 6-chloro-N-[2-[4-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]ethyl]-1,3-benzothiazol-2-amine (CID 46879521) is 6-chloro-N-[2-[4-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]ethyl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-chloro-N-[2-[4-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]ethyl]-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-chloro-N-[2-[4-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]ethyl]-1,3-benzothiazol-2-amine is Clc1ccc2nc(NCCc3ccc(NC4=NCCS4)cc3)sc2c1.
What is the InChIKey of 6-chloro-N-[2-[4-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]ethyl]-1,3-benzothiazol-2-amine?
The InChIKey is LIQAHKYFQKUQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4S2/c19-13-3-6-15-16(11-13)25-18(23-15)20-8-7-12-1-4-14(5-2-12)22-17-21-9-10-24-17/h1-6,11H,7-10H2,(H,20,23)(H,21,22).
What are the key properties of 6-chloro-N-[2-[4-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]ethyl]-1,3-benzothiazol-2-amine?
6-chloro-N-[2-[4-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]ethyl]-1,3-benzothiazol-2-amine has a molecular weight of 388.95 g/mol, XLogP of 5.12, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-[4-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]ethyl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 46879521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).