7-bromo-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-1,5-naphthyridin-4-amine

C14H13BrN4S — CID 133483385

IUPAC7-bromo-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-1,5-naphthyridin-4-amine
SMILESCc1cnc(CCNc2ccnc3cc(Br)cnc23)s1
InChIInChI=1S/C14H13BrN4S/c1-9-7-18-13(20-9)3-5-16-11-2-4-17-12-6-10(15)8-19-14(11)12/h2,4,6-8H,3,5H2,1H3,(H,16,17)
InChIKeyDHGWBMDBYVVHQV-UHFFFAOYSA-N
MW349.26 g/mol
LogP3.81
Rot. Bonds4

About 7-bromo-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-1,5-naphthyridin-4-amine

7-bromo-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-1,5-naphthyridin-4-amine (PubChem CID 133483385) has the molecular formula C14H13BrN4S and a molecular weight of 349.26 g/mol. Its IUPAC name is 7-bromo-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-1,5-naphthyridin-4-amine.

Molecular Properties

Compound Name7-bromo-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-1,5-naphthyridin-4-amine
PubChem CID133483385
Molecular FormulaC14H13BrN4S
Molecular Weight349.26 g/mol
Exact Mass348.00
IUPAC Name7-bromo-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-1,5-naphthyridin-4-amine
SMILESCc1cnc(CCNc2ccnc3cc(Br)cnc23)s1
InChIInChI=1S/C14H13BrN4S/c1-9-7-18-13(20-9)3-5-16-11-2-4-17-12-6-10(15)8-19-14(11)12/h2,4,6-8H,3,5H2,1H3,(H,16,17)
InChIKeyDHGWBMDBYVVHQV-UHFFFAOYSA-N
XLogP3.81
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.26
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-bromo-N-[2-(1-methylpyrazol-3-yl)ethyl]-1,5-naphthyridin-4-amine
CID 104891886
7-bromo-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1,5-naphthyridin-4-amine
CID 133483569
1-N-(7-bromo-1,5-naphthyridin-4-yl)-3-ethylpentane-1,2-diamine
CID 106286919
7-bromo-N-[2-[2-(dimethylamino)ethoxy]ethyl]-1,5-naphthyridin-4-amine
CID 104891853
7-bromo-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-1,5-naphthyridin-4-amine
CID 133483851
1-[(7-bromo-1,5-naphthyridin-4-yl)amino]-3-ethylpentan-2-ol
CID 104891759
7-bromo-N-[(2-methylcyclopropyl)methyl]-1,5-naphthyridin-4-amine
CID 113463910
3-[(7-bromo-1,5-naphthyridin-4-yl)amino]-2-methylpropane-1,2-diol
CID 113394421
N-(7-bromo-1,5-naphthyridin-4-yl)-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 133482029
7-bromo-N-(2-pyrrolidin-2-ylethyl)-1,5-naphthyridin-4-amine
CID 114794555
7-bromo-N-[(2-methylcyclopentyl)methyl]-1,5-naphthyridin-4-amine
CID 107419345
7-bromo-N-(1,2-oxazol-5-ylmethyl)-1,5-naphthyridin-4-amine
CID 106419106

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-1,5-naphthyridin-4-amine?
The IUPAC name of 7-bromo-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-1,5-naphthyridin-4-amine (CID 133483385) is 7-bromo-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-1,5-naphthyridin-4-amine.
What is the SMILES notation for 7-bromo-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-1,5-naphthyridin-4-amine?
The canonical SMILES for 7-bromo-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-1,5-naphthyridin-4-amine is Cc1cnc(CCNc2ccnc3cc(Br)cnc23)s1.
What is the InChIKey of 7-bromo-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-1,5-naphthyridin-4-amine?
The InChIKey is DHGWBMDBYVVHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN4S/c1-9-7-18-13(20-9)3-5-16-11-2-4-17-12-6-10(15)8-19-14(11)12/h2,4,6-8H,3,5H2,1H3,(H,16,17).
What are the key properties of 7-bromo-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-1,5-naphthyridin-4-amine?
7-bromo-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-1,5-naphthyridin-4-amine has a molecular weight of 349.26 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-1,5-naphthyridin-4-amine is sourced from PubChem (CID 133483385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).