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

C15H15BrN4S — CID 133483821

IUPAC7-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methyl-1,5-naphthyridin-4-amine
SMILESCCc1cnc(CN(C)c2ccnc3cc(Br)cnc23)s1
InChIInChI=1S/C15H15BrN4S/c1-3-11-8-18-14(21-11)9-20(2)13-4-5-17-12-6-10(16)7-19-15(12)13/h4-8H,3,9H2,1-2H3
InChIKeyPNMBYAKZNIQDDN-UHFFFAOYSA-N
MW363.28 g/mol
LogP4.05
Rot. Bonds4

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

7-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methyl-1,5-naphthyridin-4-amine (PubChem CID 133483821) has the molecular formula C15H15BrN4S and a molecular weight of 363.28 g/mol. Its IUPAC name is 7-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methyl-1,5-naphthyridin-4-amine.

Molecular Properties

Compound Name7-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methyl-1,5-naphthyridin-4-amine
PubChem CID133483821
Molecular FormulaC15H15BrN4S
Molecular Weight363.28 g/mol
Exact Mass362.02
IUPAC Name7-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methyl-1,5-naphthyridin-4-amine
SMILESCCc1cnc(CN(C)c2ccnc3cc(Br)cnc23)s1
InChIInChI=1S/C15H15BrN4S/c1-3-11-8-18-14(21-11)9-20(2)13-4-5-17-12-6-10(16)7-19-15(12)13/h4-8H,3,9H2,1-2H3
InChIKeyPNMBYAKZNIQDDN-UHFFFAOYSA-N
XLogP4.05
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.28
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methyl-1,5-naphthyridin-4-amine?
The IUPAC name of 7-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methyl-1,5-naphthyridin-4-amine (CID 133483821) is 7-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methyl-1,5-naphthyridin-4-amine.
What is the SMILES notation for 7-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methyl-1,5-naphthyridin-4-amine?
The canonical SMILES for 7-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methyl-1,5-naphthyridin-4-amine is CCc1cnc(CN(C)c2ccnc3cc(Br)cnc23)s1.
What is the InChIKey of 7-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methyl-1,5-naphthyridin-4-amine?
The InChIKey is PNMBYAKZNIQDDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN4S/c1-3-11-8-18-14(21-11)9-20(2)13-4-5-17-12-6-10(16)7-19-15(12)13/h4-8H,3,9H2,1-2H3.
What are the key properties of 7-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methyl-1,5-naphthyridin-4-amine?
7-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methyl-1,5-naphthyridin-4-amine has a molecular weight of 363.28 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methyl-1,5-naphthyridin-4-amine is sourced from PubChem (CID 133483821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).