N-[(2-methyl-1,3-thiazol-5-yl)methyl]quinolin-5-amine

C14H13N3S — CID 54868733

IUPACN-[(2-methyl-1,3-thiazol-5-yl)methyl]quinolin-5-amine
SMILESCc1ncc(CNc2cccc3ncccc23)s1
InChIInChI=1S/C14H13N3S/c1-10-16-8-11(18-10)9-17-14-6-2-5-13-12(14)4-3-7-15-13/h2-8,17H,9H2,1H3
InChIKeyJYRNNTPUGIZTOF-UHFFFAOYSA-N
MW255.35 g/mol
LogP3.61
Rot. Bonds3

About N-[(2-methyl-1,3-thiazol-5-yl)methyl]quinolin-5-amine

N-[(2-methyl-1,3-thiazol-5-yl)methyl]quinolin-5-amine (PubChem CID 54868733) has the molecular formula C14H13N3S and a molecular weight of 255.35 g/mol. Its IUPAC name is N-[(2-methyl-1,3-thiazol-5-yl)methyl]quinolin-5-amine.

Molecular Properties

Compound NameN-[(2-methyl-1,3-thiazol-5-yl)methyl]quinolin-5-amine
PubChem CID54868733
Molecular FormulaC14H13N3S
Molecular Weight255.35 g/mol
Exact Mass255.08
IUPAC NameN-[(2-methyl-1,3-thiazol-5-yl)methyl]quinolin-5-amine
SMILESCc1ncc(CNc2cccc3ncccc23)s1
InChIInChI=1S/C14H13N3S/c1-10-16-8-11(18-10)9-17-14-6-2-5-13-12(14)4-3-7-15-13/h2-8,17H,9H2,1H3
InChIKeyJYRNNTPUGIZTOF-UHFFFAOYSA-N
XLogP3.61
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-thiazol-5-ylmethyl)quinolin-5-amine
CID 62758841
N-[(2-methyl-1,3-thiazol-5-yl)methyl]isoquinolin-5-amine
CID 54868726
N-[(6-methyl-3-pyridinyl)methyl]quinolin-5-amine
CID 104756560
3-bromo-2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 103697075
N-[(4-bromothiophen-2-yl)methyl]quinolin-5-amine
CID 28972879
2-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridine-2,3-diamine
CID 61282550
N-(2,2-dimethylpropyl)quinolin-5-amine
CID 61326156
2-chloro-6-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzonitrile
CID 62500593
2-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]quinazolin-4-amine
CID 55080452
N-[(4-bromo-3-methylphenyl)methyl]quinolin-5-amine
CID 66472775
2,6-difluoro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 60941776
N-(3,3-dimethylbutyl)quinolin-5-amine
CID 62965995

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-thiazol-5-yl)methyl]quinolin-5-amine?
The IUPAC name of N-[(2-methyl-1,3-thiazol-5-yl)methyl]quinolin-5-amine (CID 54868733) is N-[(2-methyl-1,3-thiazol-5-yl)methyl]quinolin-5-amine.
What is the SMILES notation for N-[(2-methyl-1,3-thiazol-5-yl)methyl]quinolin-5-amine?
The canonical SMILES for N-[(2-methyl-1,3-thiazol-5-yl)methyl]quinolin-5-amine is Cc1ncc(CNc2cccc3ncccc23)s1.
What is the InChIKey of N-[(2-methyl-1,3-thiazol-5-yl)methyl]quinolin-5-amine?
The InChIKey is JYRNNTPUGIZTOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3S/c1-10-16-8-11(18-10)9-17-14-6-2-5-13-12(14)4-3-7-15-13/h2-8,17H,9H2,1H3.
What are the key properties of N-[(2-methyl-1,3-thiazol-5-yl)methyl]quinolin-5-amine?
N-[(2-methyl-1,3-thiazol-5-yl)methyl]quinolin-5-amine has a molecular weight of 255.35 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1,3-thiazol-5-yl)methyl]quinolin-5-amine is sourced from PubChem (CID 54868733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).