1-(7-bromo-1,5-naphthyridin-2-yl)-3-cyclopropyl-1-sulfanylurea

C12H11BrN4OS — CID 87313669

IUPAC1-(7-bromo-1,5-naphthyridin-2-yl)-3-cyclopropyl-1-sulfanylurea
SMILESO=C(NC1CC1)N(S)c1ccc2ncc(Br)cc2n1
InChIInChI=1S/C12H11BrN4OS/c13-7-5-10-9(14-6-7)3-4-11(16-10)17(19)12(18)15-8-1-2-8/h3-6,8,19H,1-2H2,(H,15,18)
InChIKeyMIIXWLSYNXFOQO-UHFFFAOYSA-N
MW339.22 g/mol
LogP2.92
Rot. Bonds2

About 1-(7-bromo-1,5-naphthyridin-2-yl)-3-cyclopropyl-1-sulfanylurea

1-(7-bromo-1,5-naphthyridin-2-yl)-3-cyclopropyl-1-sulfanylurea (PubChem CID 87313669) has the molecular formula C12H11BrN4OS and a molecular weight of 339.22 g/mol. Its IUPAC name is 1-(7-bromo-1,5-naphthyridin-2-yl)-3-cyclopropyl-1-sulfanylurea.

Molecular Properties

Compound Name1-(7-bromo-1,5-naphthyridin-2-yl)-3-cyclopropyl-1-sulfanylurea
PubChem CID87313669
Molecular FormulaC12H11BrN4OS
Molecular Weight339.22 g/mol
Exact Mass337.98
IUPAC Name1-(7-bromo-1,5-naphthyridin-2-yl)-3-cyclopropyl-1-sulfanylurea
SMILESO=C(NC1CC1)N(S)c1ccc2ncc(Br)cc2n1
InChIInChI=1S/C12H11BrN4OS/c13-7-5-10-9(14-6-7)3-4-11(16-10)17(19)12(18)15-8-1-2-8/h3-6,8,19H,1-2H2,(H,15,18)
InChIKeyMIIXWLSYNXFOQO-UHFFFAOYSA-N
XLogP2.92
TPSA58.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.22
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-acetamido-1-(7-bromo-1,5-naphthyridin-2-yl)urea
CID 118497499
3-cyclopentyl-1-[3-[5-(ethoxymethoxymethyl)furan-2-yl]pyrido[2,3-b]pyrazin-6-yl]-1-sulfanylurea
CID 88994304
5-bromo-N-cyclopropyl-3-fluoropyridine-2-carboxamide
CID 146026980
2-[(7-bromo-1,5-naphthyridin-4-yl)amino]-N-cyclopropylacetamide
CID 113394394
2-[(5-bromo-3-methyl-2-pyridinyl)-methylamino]-N-cyclopropylacetamide
CID 112698989
2-[4-[(7-bromoquinoxalin-2-yl)amino]piperidin-1-yl]ethanol
CID 67476073
N-[(7-bromoquinoxalin-2-yl)methyl]oxane-4-carboxamide
CID 156694037
2-amino-5-bromo-N-cyclopentylpyridine-3-carboxamide
CID 62155023
1-(3-bromophenyl)-3-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]-1-sulfanylurea
CID 87695026
2,7-dibromoquinoxaline
CID 827486
5-bromo-2-[(1-cyclopropylcyclopropyl)methylamino]pyridine-3-carboxylic acid
CID 114096142
3-[1-(6-bromophthalazin-1-yl)piperidin-4-yl]-1-(3-chlorophenyl)-1-sulfanylurea
CID 87694851

Frequently Asked Questions

What is the IUPAC name of 1-(7-bromo-1,5-naphthyridin-2-yl)-3-cyclopropyl-1-sulfanylurea?
The IUPAC name of 1-(7-bromo-1,5-naphthyridin-2-yl)-3-cyclopropyl-1-sulfanylurea (CID 87313669) is 1-(7-bromo-1,5-naphthyridin-2-yl)-3-cyclopropyl-1-sulfanylurea.
What is the SMILES notation for 1-(7-bromo-1,5-naphthyridin-2-yl)-3-cyclopropyl-1-sulfanylurea?
The canonical SMILES for 1-(7-bromo-1,5-naphthyridin-2-yl)-3-cyclopropyl-1-sulfanylurea is O=C(NC1CC1)N(S)c1ccc2ncc(Br)cc2n1.
What is the InChIKey of 1-(7-bromo-1,5-naphthyridin-2-yl)-3-cyclopropyl-1-sulfanylurea?
The InChIKey is MIIXWLSYNXFOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN4OS/c13-7-5-10-9(14-6-7)3-4-11(16-10)17(19)12(18)15-8-1-2-8/h3-6,8,19H,1-2H2,(H,15,18).
What are the key properties of 1-(7-bromo-1,5-naphthyridin-2-yl)-3-cyclopropyl-1-sulfanylurea?
1-(7-bromo-1,5-naphthyridin-2-yl)-3-cyclopropyl-1-sulfanylurea has a molecular weight of 339.22 g/mol, XLogP of 2.92, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bromo-1,5-naphthyridin-2-yl)-3-cyclopropyl-1-sulfanylurea is sourced from PubChem (CID 87313669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).