2-methyl-N-(1,3-thiazol-2-ylmethyl)quinolin-4-amine

C14H13N3S — CID 61283485

IUPAC2-methyl-N-(1,3-thiazol-2-ylmethyl)quinolin-4-amine
SMILESCc1cc(NCc2nccs2)c2ccccc2n1
InChIInChI=1S/C14H13N3S/c1-10-8-13(16-9-14-15-6-7-18-14)11-4-2-3-5-12(11)17-10/h2-8H,9H2,1H3,(H,16,17)
InChIKeyCEYUESVCTHXLSS-UHFFFAOYSA-N
MW255.35 g/mol
LogP3.61
Rot. Bonds3

About 2-methyl-N-(1,3-thiazol-2-ylmethyl)quinolin-4-amine

2-methyl-N-(1,3-thiazol-2-ylmethyl)quinolin-4-amine (PubChem CID 61283485) has the molecular formula C14H13N3S and a molecular weight of 255.35 g/mol. Its IUPAC name is 2-methyl-N-(1,3-thiazol-2-ylmethyl)quinolin-4-amine.

Molecular Properties

Compound Name2-methyl-N-(1,3-thiazol-2-ylmethyl)quinolin-4-amine
PubChem CID61283485
Molecular FormulaC14H13N3S
Molecular Weight255.35 g/mol
Exact Mass255.08
IUPAC Name2-methyl-N-(1,3-thiazol-2-ylmethyl)quinolin-4-amine
SMILESCc1cc(NCc2nccs2)c2ccccc2n1
InChIInChI=1S/C14H13N3S/c1-10-8-13(16-9-14-15-6-7-18-14)11-4-2-3-5-12(11)17-10/h2-8H,9H2,1H3,(H,16,17)
InChIKeyCEYUESVCTHXLSS-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

2-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinolin-4-amine
CID 61285001
N-[(4-ethylphenyl)methyl]-2-methylquinolin-4-amine
CID 106900074
4,6-dimethyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-2-amine
CID 61283291
4-(1,3-thiazol-2-ylmethylamino)quinazoline-2-carboxylic acid
CID 62406409
bis(N,N'-bis(2-methylquinolin-4-yl)decane-1,10-diamine);bis(N,N'-bis(2-methylquinolin-4-yl)dodecane-1,12-diamine);hydrate
CID 158378182
N-(4-chlorobutyl)-2-methylquinolin-4-amine
CID 106845127
(1R)-N,N-dimethyl-N'-(2-methylquinolin-4-yl)-1-thiophen-2-ylethane-1,2-diamine
CID 97068033
N'-(2-methylquinolin-4-yl)ethane-1,2-diamine;dihydrochloride
CID 46735889
2-methyl-N-(2-methylsulfonylethyl)quinolin-4-amine
CID 54934838
N-(2-methylquinolin-4-yl)-N'-propan-2-ylethane-1,2-diamine
CID 62664297
2,6-dimethyl-N-(1,3-thiazol-2-ylmethyl)aniline
CID 79017119
2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)quinolin-4-amine
CID 114694487

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1,3-thiazol-2-ylmethyl)quinolin-4-amine?
The IUPAC name of 2-methyl-N-(1,3-thiazol-2-ylmethyl)quinolin-4-amine (CID 61283485) is 2-methyl-N-(1,3-thiazol-2-ylmethyl)quinolin-4-amine.
What is the SMILES notation for 2-methyl-N-(1,3-thiazol-2-ylmethyl)quinolin-4-amine?
The canonical SMILES for 2-methyl-N-(1,3-thiazol-2-ylmethyl)quinolin-4-amine is Cc1cc(NCc2nccs2)c2ccccc2n1.
What is the InChIKey of 2-methyl-N-(1,3-thiazol-2-ylmethyl)quinolin-4-amine?
The InChIKey is CEYUESVCTHXLSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3S/c1-10-8-13(16-9-14-15-6-7-18-14)11-4-2-3-5-12(11)17-10/h2-8H,9H2,1H3,(H,16,17).
What are the key properties of 2-methyl-N-(1,3-thiazol-2-ylmethyl)quinolin-4-amine?
2-methyl-N-(1,3-thiazol-2-ylmethyl)quinolin-4-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 2-methyl-N-(1,3-thiazol-2-ylmethyl)quinolin-4-amine is sourced from PubChem (CID 61283485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).