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

C15H14Cl3N5S — CID 25259519

IUPACN-(5-chloro-2-pyridinyl)-6-(4,5-dihydro-1H-imidazol-2-yl)-1,3-benzothiazol-2-amine;dihydrochloride
SMILESCl.Cl.Clc1ccc(Nc2nc3ccc(C4=NCCN4)cc3s2)nc1
InChIInChI=1S/C15H12ClN5S.2ClH/c16-10-2-4-13(19-8-10)21-15-20-11-3-1-9(7-12(11)22-15)14-17-5-6-18-14;;/h1-4,7-8H,5-6H2,(H,17,18)(H,19,20,21);2*1H
InChIKeyZACDSOWXCJRXRT-UHFFFAOYSA-N
MW402.74 g/mol
LogP4.28
Rot. Bonds3

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

N-(5-chloro-2-pyridinyl)-6-(4,5-dihydro-1H-imidazol-2-yl)-1,3-benzothiazol-2-amine;dihydrochloride (PubChem CID 25259519) has the molecular formula C15H14Cl3N5S and a molecular weight of 402.74 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-6-(4,5-dihydro-1H-imidazol-2-yl)-1,3-benzothiazol-2-amine;dihydrochloride.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-6-(4,5-dihydro-1H-imidazol-2-yl)-1,3-benzothiazol-2-amine;dihydrochloride
PubChem CID25259519
Molecular FormulaC15H14Cl3N5S
Molecular Weight402.74 g/mol
Exact Mass401.00
IUPAC NameN-(5-chloro-2-pyridinyl)-6-(4,5-dihydro-1H-imidazol-2-yl)-1,3-benzothiazol-2-amine;dihydrochloride
SMILESCl.Cl.Clc1ccc(Nc2nc3ccc(C4=NCCN4)cc3s2)nc1
InChIInChI=1S/C15H12ClN5S.2ClH/c16-10-2-4-13(19-8-10)21-15-20-11-3-1-9(7-12(11)22-15)14-17-5-6-18-14;;/h1-4,7-8H,5-6H2,(H,17,18)(H,19,20,21);2*1H
InChIKeyZACDSOWXCJRXRT-UHFFFAOYSA-N
XLogP4.28
TPSA62.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.74
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-6-(4,5-dihydro-1H-imidazol-2-yl)-1,3-benzothiazol-2-amine;dihydrochloride?
The IUPAC name of N-(5-chloro-2-pyridinyl)-6-(4,5-dihydro-1H-imidazol-2-yl)-1,3-benzothiazol-2-amine;dihydrochloride (CID 25259519) is N-(5-chloro-2-pyridinyl)-6-(4,5-dihydro-1H-imidazol-2-yl)-1,3-benzothiazol-2-amine;dihydrochloride.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-6-(4,5-dihydro-1H-imidazol-2-yl)-1,3-benzothiazol-2-amine;dihydrochloride?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-6-(4,5-dihydro-1H-imidazol-2-yl)-1,3-benzothiazol-2-amine;dihydrochloride is Cl.Cl.Clc1ccc(Nc2nc3ccc(C4=NCCN4)cc3s2)nc1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-6-(4,5-dihydro-1H-imidazol-2-yl)-1,3-benzothiazol-2-amine;dihydrochloride?
The InChIKey is ZACDSOWXCJRXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN5S.2ClH/c16-10-2-4-13(19-8-10)21-15-20-11-3-1-9(7-12(11)22-15)14-17-5-6-18-14;;/h1-4,7-8H,5-6H2,(H,17,18)(H,19,20,21);2*1H.
What are the key properties of N-(5-chloro-2-pyridinyl)-6-(4,5-dihydro-1H-imidazol-2-yl)-1,3-benzothiazol-2-amine;dihydrochloride?
N-(5-chloro-2-pyridinyl)-6-(4,5-dihydro-1H-imidazol-2-yl)-1,3-benzothiazol-2-amine;dihydrochloride has a molecular weight of 402.74 g/mol, XLogP of 4.28, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-6-(4,5-dihydro-1H-imidazol-2-yl)-1,3-benzothiazol-2-amine;dihydrochloride is sourced from PubChem (CID 25259519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).