N-(7-phenylquinolin-4-yl)-1,3-benzothiazol-5-amine

C22H15N3S — CID 164628229

IUPACN-(7-phenylquinolin-4-yl)-1,3-benzothiazol-5-amine
SMILESc1ccc(-c2ccc3c(Nc4ccc5scnc5c4)ccnc3c2)cc1
InChIInChI=1S/C22H15N3S/c1-2-4-15(5-3-1)16-6-8-18-19(10-11-23-20(18)12-16)25-17-7-9-22-21(13-17)24-14-26-22/h1-14H,(H,23,25)
InChIKeyXNKMNBXGVDBVPN-UHFFFAOYSA-N
MW353.45 g/mol
LogP6.26
Rot. Bonds3

About N-(7-phenylquinolin-4-yl)-1,3-benzothiazol-5-amine

N-(7-phenylquinolin-4-yl)-1,3-benzothiazol-5-amine (PubChem CID 164628229) has the molecular formula C22H15N3S and a molecular weight of 353.45 g/mol. Its IUPAC name is N-(7-phenylquinolin-4-yl)-1,3-benzothiazol-5-amine.

Molecular Properties

Compound NameN-(7-phenylquinolin-4-yl)-1,3-benzothiazol-5-amine
PubChem CID164628229
Molecular FormulaC22H15N3S
Molecular Weight353.45 g/mol
Exact Mass353.10
IUPAC NameN-(7-phenylquinolin-4-yl)-1,3-benzothiazol-5-amine
SMILESc1ccc(-c2ccc3c(Nc4ccc5scnc5c4)ccnc3c2)cc1
InChIInChI=1S/C22H15N3S/c1-2-4-15(5-3-1)16-6-8-18-19(10-11-23-20(18)12-16)25-17-7-9-22-21(13-17)24-14-26-22/h1-14H,(H,23,25)
InChIKeyXNKMNBXGVDBVPN-UHFFFAOYSA-N
XLogP6.26
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.45
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Gsk872
CID 54674134
Dercitin
CID 130774
N-(4-(benzo[d]thiazol-2-yl)phenyl)-7-chloroquinolin-4-amine
CID 44564862
N-1,3-Benzothiazol-5-yl-6-(methylsulfonyl)-4-quinolinamine
CID 54673693
5-[2-(5,6,7-trifluoro-1H-indol-3-yl)quinolin-5-yl]-1,3-thiazole
CID 139545008
US11168093, Example 105
CID 147380397
US11168093, Example 1
CID 149559960
N-[2-(3-methylphenyl)-1H-indol-5-yl]-7-(1,3-thiazol-2-yl)quinolin-4-amine;hydrochloride
CID 44532395
N-(2-tert-butyl-1H-indol-5-yl)-7-(1,3-thiazol-2-yl)quinolin-4-amine;hydrochloride
CID 44532397
N-[[4-(5-fluoro-1-benzothiophen-3-yl)phenyl]methyl]-N'-quinolin-4-ylbutane-1,4-diamine
CID 137631689
N-(1-benzothiophen-3-ylmethyl)-N'-quinolin-4-ylbutane-1,4-diamine
CID 145971383
N-[[4-(5-fluoro-1-benzothiophen-3-yl)phenyl]methyl]-N'-quinolin-4-ylpropane-1,3-diamine
CID 145973006

Frequently Asked Questions

What is the IUPAC name of N-(7-phenylquinolin-4-yl)-1,3-benzothiazol-5-amine?
The IUPAC name of N-(7-phenylquinolin-4-yl)-1,3-benzothiazol-5-amine (CID 164628229) is N-(7-phenylquinolin-4-yl)-1,3-benzothiazol-5-amine.
What is the SMILES notation for N-(7-phenylquinolin-4-yl)-1,3-benzothiazol-5-amine?
The canonical SMILES for N-(7-phenylquinolin-4-yl)-1,3-benzothiazol-5-amine is c1ccc(-c2ccc3c(Nc4ccc5scnc5c4)ccnc3c2)cc1.
What is the InChIKey of N-(7-phenylquinolin-4-yl)-1,3-benzothiazol-5-amine?
The InChIKey is XNKMNBXGVDBVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N3S/c1-2-4-15(5-3-1)16-6-8-18-19(10-11-23-20(18)12-16)25-17-7-9-22-21(13-17)24-14-26-22/h1-14H,(H,23,25).
What are the key properties of N-(7-phenylquinolin-4-yl)-1,3-benzothiazol-5-amine?
N-(7-phenylquinolin-4-yl)-1,3-benzothiazol-5-amine has a molecular weight of 353.45 g/mol, XLogP of 6.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-phenylquinolin-4-yl)-1,3-benzothiazol-5-amine is sourced from PubChem (CID 164628229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).