4-[1-(1,3-benzothiazol-6-yl)imidazol-2-yl]pyridin-2-amine;hydrochloride

C15H12ClN5S — CID 154921392

IUPAC4-[1-(1,3-benzothiazol-6-yl)imidazol-2-yl]pyridin-2-amine;hydrochloride
SMILESCl.Nc1cc(-c2nccn2-c2ccc3ncsc3c2)ccn1
InChIInChI=1S/C15H11N5S.ClH/c16-14-7-10(3-4-17-14)15-18-5-6-20(15)11-1-2-12-13(8-11)21-9-19-12;/h1-9H,(H2,16,17);1H
InChIKeySHBDACNWMDGHIZ-UHFFFAOYSA-N
MW329.82 g/mol
LogP3.55
Rot. Bonds2

About 4-[1-(1,3-benzothiazol-6-yl)imidazol-2-yl]pyridin-2-amine;hydrochloride

4-[1-(1,3-benzothiazol-6-yl)imidazol-2-yl]pyridin-2-amine;hydrochloride (PubChem CID 154921392) has the molecular formula C15H12ClN5S and a molecular weight of 329.82 g/mol. Its IUPAC name is 4-[1-(1,3-benzothiazol-6-yl)imidazol-2-yl]pyridin-2-amine;hydrochloride.

Molecular Properties

Compound Name4-[1-(1,3-benzothiazol-6-yl)imidazol-2-yl]pyridin-2-amine;hydrochloride
PubChem CID154921392
Molecular FormulaC15H12ClN5S
Molecular Weight329.82 g/mol
Exact Mass329.05
IUPAC Name4-[1-(1,3-benzothiazol-6-yl)imidazol-2-yl]pyridin-2-amine;hydrochloride
SMILESCl.Nc1cc(-c2nccn2-c2ccc3ncsc3c2)ccn1
InChIInChI=1S/C15H11N5S.ClH/c16-14-7-10(3-4-17-14)15-18-5-6-20(15)11-1-2-12-13(8-11)21-9-19-12;/h1-9H,(H2,16,17);1H
InChIKeySHBDACNWMDGHIZ-UHFFFAOYSA-N
XLogP3.55
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.82
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[1-(3-methylbenzimidazol-5-yl)imidazol-2-yl]pyridin-2-amine
CID 139598950
2-(1,3-benzothiazol-6-yl)triazol-4-amine
CID 107806802
2-[1-(1,3-benzothiazol-6-yl)tetrazol-5-yl]aniline
CID 107806544
3-(1,3-benzothiazol-6-yl)imidazo[4,5-b]pyridin-2-amine
CID 107805988
2-[3-[1-(2-methyl-1,3-benzothiazol-6-yl)imidazol-2-yl]phenoxy]acetamide
CID 50957135
6-[2-(4-methoxy-3-methylphenyl)imidazol-1-yl]quinoxaline
CID 56880029
1-(1,3-benzothiazol-6-yl)imidazo[4,5-c]pyridin-2-amine
CID 107805987
5-amino-2-(1,3-benzothiazol-6-yl)-4H-pyrazol-3-one
CID 96599066
1-(1,3-benzothiazol-6-yl)-6,7-dihydro-5H-indol-4-one
CID 107801156
6-bromo-1,3-benzothiazole;hydrazine
CID 174420817
4-quinoxalin-6-ylpyridin-2-amine
CID 46196144
1,3-benzothiazol-6-ylmethanamine;hydrochloride
CID 133063605

Frequently Asked Questions

What is the IUPAC name of 4-[1-(1,3-benzothiazol-6-yl)imidazol-2-yl]pyridin-2-amine;hydrochloride?
The IUPAC name of 4-[1-(1,3-benzothiazol-6-yl)imidazol-2-yl]pyridin-2-amine;hydrochloride (CID 154921392) is 4-[1-(1,3-benzothiazol-6-yl)imidazol-2-yl]pyridin-2-amine;hydrochloride.
What is the SMILES notation for 4-[1-(1,3-benzothiazol-6-yl)imidazol-2-yl]pyridin-2-amine;hydrochloride?
The canonical SMILES for 4-[1-(1,3-benzothiazol-6-yl)imidazol-2-yl]pyridin-2-amine;hydrochloride is Cl.Nc1cc(-c2nccn2-c2ccc3ncsc3c2)ccn1.
What is the InChIKey of 4-[1-(1,3-benzothiazol-6-yl)imidazol-2-yl]pyridin-2-amine;hydrochloride?
The InChIKey is SHBDACNWMDGHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5S.ClH/c16-14-7-10(3-4-17-14)15-18-5-6-20(15)11-1-2-12-13(8-11)21-9-19-12;/h1-9H,(H2,16,17);1H.
What are the key properties of 4-[1-(1,3-benzothiazol-6-yl)imidazol-2-yl]pyridin-2-amine;hydrochloride?
4-[1-(1,3-benzothiazol-6-yl)imidazol-2-yl]pyridin-2-amine;hydrochloride has a molecular weight of 329.82 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1,3-benzothiazol-6-yl)imidazol-2-yl]pyridin-2-amine;hydrochloride is sourced from PubChem (CID 154921392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).