5-bromo-N-cyclohex-3-en-1-yl-1,3-thiazol-2-amine

C9H11BrN2S — CID 131154421

IUPAC5-bromo-N-cyclohex-3-en-1-yl-1,3-thiazol-2-amine
SMILESBrc1cnc(NC2CC=CCC2)s1
InChIInChI=1S/C9H11BrN2S/c10-8-6-11-9(13-8)12-7-4-2-1-3-5-7/h1-2,6-7H,3-5H2,(H,11,12)
InChIKeyQSWZZLILTZWTMV-UHFFFAOYSA-N
MW259.17 g/mol
LogP3.43
Rot. Bonds2

About 5-bromo-N-cyclohex-3-en-1-yl-1,3-thiazol-2-amine

5-bromo-N-cyclohex-3-en-1-yl-1,3-thiazol-2-amine (PubChem CID 131154421) has the molecular formula C9H11BrN2S and a molecular weight of 259.17 g/mol. Its IUPAC name is 5-bromo-N-cyclohex-3-en-1-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-bromo-N-cyclohex-3-en-1-yl-1,3-thiazol-2-amine
PubChem CID131154421
Molecular FormulaC9H11BrN2S
Molecular Weight259.17 g/mol
Exact Mass257.98
IUPAC Name5-bromo-N-cyclohex-3-en-1-yl-1,3-thiazol-2-amine
SMILESBrc1cnc(NC2CC=CCC2)s1
InChIInChI=1S/C9H11BrN2S/c10-8-6-11-9(13-8)12-7-4-2-1-3-5-7/h1-2,6-7H,3-5H2,(H,11,12)
InChIKeyQSWZZLILTZWTMV-UHFFFAOYSA-N
XLogP3.43
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.17
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-N-cyclohex-3-en-1-yl-1,3-thiazole-2,5-diamine
CID 102768646
5-bromo-N-(cyclohex-3-en-1-ylmethyl)-1,3-thiazol-2-amine
CID 130641123
5-bromo-N-cyclohex-3-en-1-ylpyrazin-2-amine
CID 130540607
4-[(5-bromo-1,3-thiazol-2-yl)amino]azepan-2-one
CID 63888104
3-bromo-5-chloro-N-cyclohex-3-en-1-ylpyridin-2-amine
CID 114835973
5-bromo-N-cyclohex-3-en-1-yl-4-methylpyrimidin-2-amine
CID 130900359
N-cyclohex-3-en-1-yl-5-iodopyrimidin-2-amine
CID 104843859
4-chloro-N-cyclohex-3-en-1-yl-1,3-thiazol-2-amine
CID 83151957
2-N-cyclohex-3-en-1-yl-4-methylpyridine-2,5-diamine
CID 79176344
N-methylcyclohex-3-en-1-amine
CID 12702515
5-bromo-4-(cyclohex-3-en-1-ylamino)-1H-pyridazin-6-one
CID 114386158
5-chloro-N-cyclohex-3-en-1-ylpyrimidin-4-amine
CID 105369492

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-cyclohex-3-en-1-yl-1,3-thiazol-2-amine?
The IUPAC name of 5-bromo-N-cyclohex-3-en-1-yl-1,3-thiazol-2-amine (CID 131154421) is 5-bromo-N-cyclohex-3-en-1-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-bromo-N-cyclohex-3-en-1-yl-1,3-thiazol-2-amine?
The canonical SMILES for 5-bromo-N-cyclohex-3-en-1-yl-1,3-thiazol-2-amine is Brc1cnc(NC2CC=CCC2)s1.
What is the InChIKey of 5-bromo-N-cyclohex-3-en-1-yl-1,3-thiazol-2-amine?
The InChIKey is QSWZZLILTZWTMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2S/c10-8-6-11-9(13-8)12-7-4-2-1-3-5-7/h1-2,6-7H,3-5H2,(H,11,12).
What are the key properties of 5-bromo-N-cyclohex-3-en-1-yl-1,3-thiazol-2-amine?
5-bromo-N-cyclohex-3-en-1-yl-1,3-thiazol-2-amine has a molecular weight of 259.17 g/mol, XLogP of 3.43, 2 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-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 131154421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).