4-bromo-N-(naphthalen-1-ylmethyl)-1,3-thiazol-2-amine

C14H11BrN2S — CID 79400625

IUPAC4-bromo-N-(naphthalen-1-ylmethyl)-1,3-thiazol-2-amine
SMILESBrc1csc(NCc2cccc3ccccc23)n1
InChIInChI=1S/C14H11BrN2S/c15-13-9-18-14(17-13)16-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7,9H,8H2,(H,16,17)
InChIKeySKXBFAFLXCLUIS-UHFFFAOYSA-N
MW319.23 g/mol
LogP4.67
Rot. Bonds3

About 4-bromo-N-(naphthalen-1-ylmethyl)-1,3-thiazol-2-amine

4-bromo-N-(naphthalen-1-ylmethyl)-1,3-thiazol-2-amine (PubChem CID 79400625) has the molecular formula C14H11BrN2S and a molecular weight of 319.23 g/mol. Its IUPAC name is 4-bromo-N-(naphthalen-1-ylmethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-bromo-N-(naphthalen-1-ylmethyl)-1,3-thiazol-2-amine
PubChem CID79400625
Molecular FormulaC14H11BrN2S
Molecular Weight319.23 g/mol
Exact Mass317.98
IUPAC Name4-bromo-N-(naphthalen-1-ylmethyl)-1,3-thiazol-2-amine
SMILESBrc1csc(NCc2cccc3ccccc23)n1
InChIInChI=1S/C14H11BrN2S/c15-13-9-18-14(17-13)16-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7,9H,8H2,(H,16,17)
InChIKeySKXBFAFLXCLUIS-UHFFFAOYSA-N
XLogP4.67
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.23
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(naphthalen-1-ylmethyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-bromo-N-(naphthalen-1-ylmethyl)-1,3-thiazol-2-amine (CID 79400625) is 4-bromo-N-(naphthalen-1-ylmethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-bromo-N-(naphthalen-1-ylmethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-bromo-N-(naphthalen-1-ylmethyl)-1,3-thiazol-2-amine is Brc1csc(NCc2cccc3ccccc23)n1.
What is the InChIKey of 4-bromo-N-(naphthalen-1-ylmethyl)-1,3-thiazol-2-amine?
The InChIKey is SKXBFAFLXCLUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2S/c15-13-9-18-14(17-13)16-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7,9H,8H2,(H,16,17).
What are the key properties of 4-bromo-N-(naphthalen-1-ylmethyl)-1,3-thiazol-2-amine?
4-bromo-N-(naphthalen-1-ylmethyl)-1,3-thiazol-2-amine has a molecular weight of 319.23 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(naphthalen-1-ylmethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 79400625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).