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

C14H13BrN4S — CID 133483569

IUPAC7-bromo-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1,5-naphthyridin-4-amine
SMILESCc1nc(C)c(CNc2ccnc3cc(Br)cnc23)s1
InChIInChI=1S/C14H13BrN4S/c1-8-13(20-9(2)19-8)7-17-11-3-4-16-12-5-10(15)6-18-14(11)12/h3-6H,7H2,1-2H3,(H,16,17)
InChIKeyLBBCMBBSRAZIRR-UHFFFAOYSA-N
MW349.26 g/mol
LogP4.08
Rot. Bonds3

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

7-bromo-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1,5-naphthyridin-4-amine (PubChem CID 133483569) has the molecular formula C14H13BrN4S and a molecular weight of 349.26 g/mol. Its IUPAC name is 7-bromo-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1,5-naphthyridin-4-amine.

Molecular Properties

Compound Name7-bromo-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1,5-naphthyridin-4-amine
PubChem CID133483569
Molecular FormulaC14H13BrN4S
Molecular Weight349.26 g/mol
Exact Mass348.00
IUPAC Name7-bromo-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1,5-naphthyridin-4-amine
SMILESCc1nc(C)c(CNc2ccnc3cc(Br)cnc23)s1
InChIInChI=1S/C14H13BrN4S/c1-8-13(20-9(2)19-8)7-17-11-3-4-16-12-5-10(15)6-18-14(11)12/h3-6H,7H2,1-2H3,(H,16,17)
InChIKeyLBBCMBBSRAZIRR-UHFFFAOYSA-N
XLogP4.08
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.26
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-bromo-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1,5-naphthyridin-4-amine with MolForge

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Related Compounds

7-bromo-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-1,5-naphthyridin-4-amine
CID 133483385
7-bromo-N-[(4-ethylsulfonylphenyl)methyl]-1,5-naphthyridin-4-amine
CID 133465726
7-bromo-N-(1,2-oxazol-5-ylmethyl)-1,5-naphthyridin-4-amine
CID 106419106
7-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)-1,5-naphthyridin-4-amine
CID 106403276
1-[(7-bromo-1,5-naphthyridin-4-yl)amino]-3-ethylpentan-2-ol
CID 104891759
7-bromo-N-(2-methyl-3-nitropropyl)-1,5-naphthyridin-4-amine
CID 67052452
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
7-bromo-N-[[4-(2-methoxyethoxy)phenyl]methyl]-1,5-naphthyridin-4-amine
CID 133481963
1-N-(7-bromo-1,5-naphthyridin-4-yl)-3-ethylpentane-1,2-diamine
CID 106286919
3-bromo-N-[(2-methyl-1,3-thiazol-5-yl)methyl]quinolin-8-amine
CID 116783537
2-[[(7-bromo-1,5-naphthyridin-4-yl)amino]methyl]-N-tert-butylbenzenesulfonamide
CID 133482451

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1,5-naphthyridin-4-amine?
The IUPAC name of 7-bromo-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1,5-naphthyridin-4-amine (CID 133483569) is 7-bromo-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1,5-naphthyridin-4-amine.
What is the SMILES notation for 7-bromo-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1,5-naphthyridin-4-amine?
The canonical SMILES for 7-bromo-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1,5-naphthyridin-4-amine is Cc1nc(C)c(CNc2ccnc3cc(Br)cnc23)s1.
What is the InChIKey of 7-bromo-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1,5-naphthyridin-4-amine?
The InChIKey is LBBCMBBSRAZIRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN4S/c1-8-13(20-9(2)19-8)7-17-11-3-4-16-12-5-10(15)6-18-14(11)12/h3-6H,7H2,1-2H3,(H,16,17).
What are the key properties of 7-bromo-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1,5-naphthyridin-4-amine?
7-bromo-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1,5-naphthyridin-4-amine has a molecular weight of 349.26 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1,5-naphthyridin-4-amine is sourced from PubChem (CID 133483569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).