4-(5-bromo-1,3-thiazol-2-yl)cyclohexan-1-amine

C9H13BrN2S — CID 83693615

IUPAC4-(5-bromo-1,3-thiazol-2-yl)cyclohexan-1-amine
SMILESNC1CCC(c2ncc(Br)s2)CC1
InChIInChI=1S/C9H13BrN2S/c10-8-5-12-9(13-8)6-1-3-7(11)4-2-6/h5-7H,1-4,11H2
InChIKeyWNLCRBMIFGIKSW-UHFFFAOYSA-N
MW261.19 g/mol
LogP2.89
Rot. Bonds1

About 4-(5-bromo-1,3-thiazol-2-yl)cyclohexan-1-amine

4-(5-bromo-1,3-thiazol-2-yl)cyclohexan-1-amine (PubChem CID 83693615) has the molecular formula C9H13BrN2S and a molecular weight of 261.19 g/mol. Its IUPAC name is 4-(5-bromo-1,3-thiazol-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-(5-bromo-1,3-thiazol-2-yl)cyclohexan-1-amine
PubChem CID83693615
Molecular FormulaC9H13BrN2S
Molecular Weight261.19 g/mol
Exact Mass260.00
IUPAC Name4-(5-bromo-1,3-thiazol-2-yl)cyclohexan-1-amine
SMILESNC1CCC(c2ncc(Br)s2)CC1
InChIInChI=1S/C9H13BrN2S/c10-8-5-12-9(13-8)6-1-3-7(11)4-2-6/h5-7H,1-4,11H2
InChIKeyWNLCRBMIFGIKSW-UHFFFAOYSA-N
XLogP2.89
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.19
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-1,3-thiazol-2-yl)cyclohexan-1-amine?
The IUPAC name of 4-(5-bromo-1,3-thiazol-2-yl)cyclohexan-1-amine (CID 83693615) is 4-(5-bromo-1,3-thiazol-2-yl)cyclohexan-1-amine.
What is the SMILES notation for 4-(5-bromo-1,3-thiazol-2-yl)cyclohexan-1-amine?
The canonical SMILES for 4-(5-bromo-1,3-thiazol-2-yl)cyclohexan-1-amine is NC1CCC(c2ncc(Br)s2)CC1.
What is the InChIKey of 4-(5-bromo-1,3-thiazol-2-yl)cyclohexan-1-amine?
The InChIKey is WNLCRBMIFGIKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2S/c10-8-5-12-9(13-8)6-1-3-7(11)4-2-6/h5-7H,1-4,11H2.
What are the key properties of 4-(5-bromo-1,3-thiazol-2-yl)cyclohexan-1-amine?
4-(5-bromo-1,3-thiazol-2-yl)cyclohexan-1-amine has a molecular weight of 261.19 g/mol, XLogP of 2.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-1,3-thiazol-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 83693615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).