N-(1,3-thiazol-5-ylmethyl)quinolin-5-amine

C13H11N3S — CID 62758841

IUPACN-(1,3-thiazol-5-ylmethyl)quinolin-5-amine
SMILESc1cc(NCc2cncs2)c2cccnc2c1
InChIInChI=1S/C13H11N3S/c1-4-12-11(3-2-6-15-12)13(5-1)16-8-10-7-14-9-17-10/h1-7,9,16H,8H2
InChIKeyWCDLRCNYAHBIEH-UHFFFAOYSA-N
MW241.32 g/mol
LogP3.30
Rot. Bonds3

About N-(1,3-thiazol-5-ylmethyl)quinolin-5-amine

N-(1,3-thiazol-5-ylmethyl)quinolin-5-amine (PubChem CID 62758841) has the molecular formula C13H11N3S and a molecular weight of 241.32 g/mol. Its IUPAC name is N-(1,3-thiazol-5-ylmethyl)quinolin-5-amine.

Molecular Properties

Compound NameN-(1,3-thiazol-5-ylmethyl)quinolin-5-amine
PubChem CID62758841
Molecular FormulaC13H11N3S
Molecular Weight241.32 g/mol
Exact Mass241.07
IUPAC NameN-(1,3-thiazol-5-ylmethyl)quinolin-5-amine
SMILESc1cc(NCc2cncs2)c2cccnc2c1
InChIInChI=1S/C13H11N3S/c1-4-12-11(3-2-6-15-12)13(5-1)16-8-10-7-14-9-17-10/h1-7,9,16H,8H2
InChIKeyWCDLRCNYAHBIEH-UHFFFAOYSA-N
XLogP3.30
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-bromothiophen-2-yl)methyl]quinolin-5-amine
CID 28972879
N-[(2-methyl-1,3-thiazol-5-yl)methyl]quinolin-5-amine
CID 54868733
3-[(quinolin-5-ylamino)methyl]benzene-1,2-diol
CID 61317236
3-methyl-N-(1,3-thiazol-5-ylmethyl)pyridin-2-amine
CID 115735497
N-[(6-methyl-3-pyridinyl)methyl]quinolin-5-amine
CID 104756560
N-(1H-indol-3-ylmethyl)quinolin-5-amine
CID 60680044
5-(1,3-thiazol-5-ylmethylamino)-2,3-dihydrophthalazine-1,4-dione
CID 55110287
N'-quinolin-5-ylethane-1,2-diamine
CID 81217065
N-(2,2-dimethylpropyl)quinolin-5-amine
CID 61326156
3-chloro-2-fluoro-N-(1,3-thiazol-5-ylmethyl)aniline
CID 62759616
N-(3,3-dimethylbutyl)quinolin-5-amine
CID 62965995
N-(cyclopropylmethyl)quinolin-5-amine
CID 43654866

Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-5-ylmethyl)quinolin-5-amine?
The IUPAC name of N-(1,3-thiazol-5-ylmethyl)quinolin-5-amine (CID 62758841) is N-(1,3-thiazol-5-ylmethyl)quinolin-5-amine.
What is the SMILES notation for N-(1,3-thiazol-5-ylmethyl)quinolin-5-amine?
The canonical SMILES for N-(1,3-thiazol-5-ylmethyl)quinolin-5-amine is c1cc(NCc2cncs2)c2cccnc2c1.
What is the InChIKey of N-(1,3-thiazol-5-ylmethyl)quinolin-5-amine?
The InChIKey is WCDLRCNYAHBIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3S/c1-4-12-11(3-2-6-15-12)13(5-1)16-8-10-7-14-9-17-10/h1-7,9,16H,8H2.
What are the key properties of N-(1,3-thiazol-5-ylmethyl)quinolin-5-amine?
N-(1,3-thiazol-5-ylmethyl)quinolin-5-amine has a molecular weight of 241.32 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-5-ylmethyl)quinolin-5-amine is sourced from PubChem (CID 62758841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).