4-bromo-N-[2-(2H-tetrazol-5-yl)ethyl]-1,3-thiazol-2-amine

C6H7BrN6S — CID 130561550

IUPAC4-bromo-N-[2-(2H-tetrazol-5-yl)ethyl]-1,3-thiazol-2-amine
SMILESBrc1csc(NCCc2nn[nH]n2)n1
InChIInChI=1S/C6H7BrN6S/c7-4-3-14-6(9-4)8-2-1-5-10-12-13-11-5/h3H,1-2H2,(H,8,9)(H,10,11,12,13)
InChIKeyDXLPKZRLQVOELR-UHFFFAOYSA-N
MW275.13 g/mol
LogP1.07
Rot. Bonds4

About 4-bromo-N-[2-(2H-tetrazol-5-yl)ethyl]-1,3-thiazol-2-amine

4-bromo-N-[2-(2H-tetrazol-5-yl)ethyl]-1,3-thiazol-2-amine (PubChem CID 130561550) has the molecular formula C6H7BrN6S and a molecular weight of 275.13 g/mol. Its IUPAC name is 4-bromo-N-[2-(2H-tetrazol-5-yl)ethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-bromo-N-[2-(2H-tetrazol-5-yl)ethyl]-1,3-thiazol-2-amine
PubChem CID130561550
Molecular FormulaC6H7BrN6S
Molecular Weight275.13 g/mol
Exact Mass273.96
IUPAC Name4-bromo-N-[2-(2H-tetrazol-5-yl)ethyl]-1,3-thiazol-2-amine
SMILESBrc1csc(NCCc2nn[nH]n2)n1
InChIInChI=1S/C6H7BrN6S/c7-4-3-14-6(9-4)8-2-1-5-10-12-13-11-5/h3H,1-2H2,(H,8,9)(H,10,11,12,13)
InChIKeyDXLPKZRLQVOELR-UHFFFAOYSA-N
XLogP1.07
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.13
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(2H-tetrazol-5-yl)ethyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-bromo-N-[2-(2H-tetrazol-5-yl)ethyl]-1,3-thiazol-2-amine (CID 130561550) is 4-bromo-N-[2-(2H-tetrazol-5-yl)ethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-bromo-N-[2-(2H-tetrazol-5-yl)ethyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-bromo-N-[2-(2H-tetrazol-5-yl)ethyl]-1,3-thiazol-2-amine is Brc1csc(NCCc2nn[nH]n2)n1.
What is the InChIKey of 4-bromo-N-[2-(2H-tetrazol-5-yl)ethyl]-1,3-thiazol-2-amine?
The InChIKey is DXLPKZRLQVOELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrN6S/c7-4-3-14-6(9-4)8-2-1-5-10-12-13-11-5/h3H,1-2H2,(H,8,9)(H,10,11,12,13).
What are the key properties of 4-bromo-N-[2-(2H-tetrazol-5-yl)ethyl]-1,3-thiazol-2-amine?
4-bromo-N-[2-(2H-tetrazol-5-yl)ethyl]-1,3-thiazol-2-amine has a molecular weight of 275.13 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-(2H-tetrazol-5-yl)ethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 130561550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).