5-bromo-N-(cyclohex-3-en-1-ylmethyl)-1,3-thiazol-2-amine

C10H13BrN2S — CID 130641123

IUPAC5-bromo-N-(cyclohex-3-en-1-ylmethyl)-1,3-thiazol-2-amine
SMILESBrc1cnc(NCC2CC=CCC2)s1
InChIInChI=1S/C10H13BrN2S/c11-9-7-13-10(14-9)12-6-8-4-2-1-3-5-8/h1-2,7-8H,3-6H2,(H,12,13)
InChIKeyWPBDHXPMPIOJLB-UHFFFAOYSA-N
MW273.20 g/mol
LogP3.67
Rot. Bonds3

About 5-bromo-N-(cyclohex-3-en-1-ylmethyl)-1,3-thiazol-2-amine

5-bromo-N-(cyclohex-3-en-1-ylmethyl)-1,3-thiazol-2-amine (PubChem CID 130641123) has the molecular formula C10H13BrN2S and a molecular weight of 273.20 g/mol. Its IUPAC name is 5-bromo-N-(cyclohex-3-en-1-ylmethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-bromo-N-(cyclohex-3-en-1-ylmethyl)-1,3-thiazol-2-amine
PubChem CID130641123
Molecular FormulaC10H13BrN2S
Molecular Weight273.20 g/mol
Exact Mass272.00
IUPAC Name5-bromo-N-(cyclohex-3-en-1-ylmethyl)-1,3-thiazol-2-amine
SMILESBrc1cnc(NCC2CC=CCC2)s1
InChIInChI=1S/C10H13BrN2S/c11-9-7-13-10(14-9)12-6-8-4-2-1-3-5-8/h1-2,7-8H,3-6H2,(H,12,13)
InChIKeyWPBDHXPMPIOJLB-UHFFFAOYSA-N
XLogP3.67
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.20
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(cyclohex-3-en-1-ylmethyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-bromo-N-(cyclohex-3-en-1-ylmethyl)-1,3-thiazol-2-amine (CID 130641123) is 5-bromo-N-(cyclohex-3-en-1-ylmethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-bromo-N-(cyclohex-3-en-1-ylmethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-bromo-N-(cyclohex-3-en-1-ylmethyl)-1,3-thiazol-2-amine is Brc1cnc(NCC2CC=CCC2)s1.
What is the InChIKey of 5-bromo-N-(cyclohex-3-en-1-ylmethyl)-1,3-thiazol-2-amine?
The InChIKey is WPBDHXPMPIOJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2S/c11-9-7-13-10(14-9)12-6-8-4-2-1-3-5-8/h1-2,7-8H,3-6H2,(H,12,13).
What are the key properties of 5-bromo-N-(cyclohex-3-en-1-ylmethyl)-1,3-thiazol-2-amine?
5-bromo-N-(cyclohex-3-en-1-ylmethyl)-1,3-thiazol-2-amine has a molecular weight of 273.20 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(cyclohex-3-en-1-ylmethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 130641123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).