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

C16H17Cl2N5S — CID 25259078

IUPAC6-(4,5-dihydro-1H-imidazol-2-yl)-N-(5-methyl-2-pyridinyl)-1,3-benzothiazol-2-amine;dihydrochloride
SMILESCc1ccc(Nc2nc3ccc(C4=NCCN4)cc3s2)nc1.Cl.Cl
InChIInChI=1S/C16H15N5S.2ClH/c1-10-2-5-14(19-9-10)21-16-20-12-4-3-11(8-13(12)22-16)15-17-6-7-18-15;;/h2-5,8-9H,6-7H2,1H3,(H,17,18)(H,19,20,21);2*1H
InChIKeyAMEBSELHJKSOTB-UHFFFAOYSA-N
MW382.32 g/mol
LogP3.94
Rot. Bonds3

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

6-(4,5-dihydro-1H-imidazol-2-yl)-N-(5-methyl-2-pyridinyl)-1,3-benzothiazol-2-amine;dihydrochloride (PubChem CID 25259078) has the molecular formula C16H17Cl2N5S and a molecular weight of 382.32 g/mol. Its IUPAC name is 6-(4,5-dihydro-1H-imidazol-2-yl)-N-(5-methyl-2-pyridinyl)-1,3-benzothiazol-2-amine;dihydrochloride.

Molecular Properties

Compound Name6-(4,5-dihydro-1H-imidazol-2-yl)-N-(5-methyl-2-pyridinyl)-1,3-benzothiazol-2-amine;dihydrochloride
PubChem CID25259078
Molecular FormulaC16H17Cl2N5S
Molecular Weight382.32 g/mol
Exact Mass381.06
IUPAC Name6-(4,5-dihydro-1H-imidazol-2-yl)-N-(5-methyl-2-pyridinyl)-1,3-benzothiazol-2-amine;dihydrochloride
SMILESCc1ccc(Nc2nc3ccc(C4=NCCN4)cc3s2)nc1.Cl.Cl
InChIInChI=1S/C16H15N5S.2ClH/c1-10-2-5-14(19-9-10)21-16-20-12-4-3-11(8-13(12)22-16)15-17-6-7-18-15;;/h2-5,8-9H,6-7H2,1H3,(H,17,18)(H,19,20,21);2*1H
InChIKeyAMEBSELHJKSOTB-UHFFFAOYSA-N
XLogP3.94
TPSA62.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.32
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4,5-dihydro-1H-imidazol-2-yl)-N-(5-methyl-2-pyridinyl)-1,3-benzothiazol-2-amine;dihydrochloride?
The IUPAC name of 6-(4,5-dihydro-1H-imidazol-2-yl)-N-(5-methyl-2-pyridinyl)-1,3-benzothiazol-2-amine;dihydrochloride (CID 25259078) is 6-(4,5-dihydro-1H-imidazol-2-yl)-N-(5-methyl-2-pyridinyl)-1,3-benzothiazol-2-amine;dihydrochloride.
What is the SMILES notation for 6-(4,5-dihydro-1H-imidazol-2-yl)-N-(5-methyl-2-pyridinyl)-1,3-benzothiazol-2-amine;dihydrochloride?
The canonical SMILES for 6-(4,5-dihydro-1H-imidazol-2-yl)-N-(5-methyl-2-pyridinyl)-1,3-benzothiazol-2-amine;dihydrochloride is Cc1ccc(Nc2nc3ccc(C4=NCCN4)cc3s2)nc1.Cl.Cl.
What is the InChIKey of 6-(4,5-dihydro-1H-imidazol-2-yl)-N-(5-methyl-2-pyridinyl)-1,3-benzothiazol-2-amine;dihydrochloride?
The InChIKey is AMEBSELHJKSOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5S.2ClH/c1-10-2-5-14(19-9-10)21-16-20-12-4-3-11(8-13(12)22-16)15-17-6-7-18-15;;/h2-5,8-9H,6-7H2,1H3,(H,17,18)(H,19,20,21);2*1H.
What are the key properties of 6-(4,5-dihydro-1H-imidazol-2-yl)-N-(5-methyl-2-pyridinyl)-1,3-benzothiazol-2-amine;dihydrochloride?
6-(4,5-dihydro-1H-imidazol-2-yl)-N-(5-methyl-2-pyridinyl)-1,3-benzothiazol-2-amine;dihydrochloride has a molecular weight of 382.32 g/mol, XLogP of 3.94, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,5-dihydro-1H-imidazol-2-yl)-N-(5-methyl-2-pyridinyl)-1,3-benzothiazol-2-amine;dihydrochloride is sourced from PubChem (CID 25259078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).