3-bromo-N-[(2-methyl-1,3-thiazol-5-yl)methyl]quinolin-8-amine

C14H12BrN3S — CID 116783537

IUPAC3-bromo-N-[(2-methyl-1,3-thiazol-5-yl)methyl]quinolin-8-amine
SMILESCc1ncc(CNc2cccc3cc(Br)cnc23)s1
InChIInChI=1S/C14H12BrN3S/c1-9-16-7-12(19-9)8-17-13-4-2-3-10-5-11(15)6-18-14(10)13/h2-7,17H,8H2,1H3
InChIKeyVQHMFUBXHXZYML-UHFFFAOYSA-N
MW334.24 g/mol
LogP4.37
Rot. Bonds3

About 3-bromo-N-[(2-methyl-1,3-thiazol-5-yl)methyl]quinolin-8-amine

3-bromo-N-[(2-methyl-1,3-thiazol-5-yl)methyl]quinolin-8-amine (PubChem CID 116783537) has the molecular formula C14H12BrN3S and a molecular weight of 334.24 g/mol. Its IUPAC name is 3-bromo-N-[(2-methyl-1,3-thiazol-5-yl)methyl]quinolin-8-amine.

Molecular Properties

Compound Name3-bromo-N-[(2-methyl-1,3-thiazol-5-yl)methyl]quinolin-8-amine
PubChem CID116783537
Molecular FormulaC14H12BrN3S
Molecular Weight334.24 g/mol
Exact Mass332.99
IUPAC Name3-bromo-N-[(2-methyl-1,3-thiazol-5-yl)methyl]quinolin-8-amine
SMILESCc1ncc(CNc2cccc3cc(Br)cnc23)s1
InChIInChI=1S/C14H12BrN3S/c1-9-16-7-12(19-9)8-17-13-4-2-3-10-5-11(15)6-18-14(10)13/h2-7,17H,8H2,1H3
InChIKeyVQHMFUBXHXZYML-UHFFFAOYSA-N
XLogP4.37
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.24
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[(3-bromoquinolin-8-yl)amino]methyl]thiophene-2-carbonitrile
CID 116783421
3-bromo-2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 103697075
3-bromo-N-[(3-methyl-2-pyridinyl)methyl]quinolin-8-amine
CID 116784241
3-bromo-N-[(4-fluoro-2-methylphenyl)methyl]quinolin-8-amine
CID 116783232
N-[(2-methyl-1,3-thiazol-5-yl)methyl]isoquinolin-5-amine
CID 54868726
3-bromo-N-[(3-methyltriazol-4-yl)methyl]quinolin-8-amine
CID 116783474
3-bromo-N-[(3,4-difluorophenyl)methyl]quinolin-8-amine
CID 116783370
3-bromo-N-[(2,3-difluorophenyl)methyl]quinolin-8-amine
CID 116783545
3-bromo-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]quinolin-8-amine
CID 116784094
4-[[(3-bromoquinolin-8-yl)amino]methyl]benzonitrile
CID 116783275
3-bromo-N-[(3-ethylimidazol-4-yl)methyl]quinolin-8-amine
CID 116783174
3-bromo-N-[(2-chloro-6-fluorophenyl)methyl]quinolin-8-amine
CID 116783440

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(2-methyl-1,3-thiazol-5-yl)methyl]quinolin-8-amine?
The IUPAC name of 3-bromo-N-[(2-methyl-1,3-thiazol-5-yl)methyl]quinolin-8-amine (CID 116783537) is 3-bromo-N-[(2-methyl-1,3-thiazol-5-yl)methyl]quinolin-8-amine.
What is the SMILES notation for 3-bromo-N-[(2-methyl-1,3-thiazol-5-yl)methyl]quinolin-8-amine?
The canonical SMILES for 3-bromo-N-[(2-methyl-1,3-thiazol-5-yl)methyl]quinolin-8-amine is Cc1ncc(CNc2cccc3cc(Br)cnc23)s1.
What is the InChIKey of 3-bromo-N-[(2-methyl-1,3-thiazol-5-yl)methyl]quinolin-8-amine?
The InChIKey is VQHMFUBXHXZYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3S/c1-9-16-7-12(19-9)8-17-13-4-2-3-10-5-11(15)6-18-14(10)13/h2-7,17H,8H2,1H3.
What are the key properties of 3-bromo-N-[(2-methyl-1,3-thiazol-5-yl)methyl]quinolin-8-amine?
3-bromo-N-[(2-methyl-1,3-thiazol-5-yl)methyl]quinolin-8-amine has a molecular weight of 334.24 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(2-methyl-1,3-thiazol-5-yl)methyl]quinolin-8-amine is sourced from PubChem (CID 116783537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).