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

C9H13BrN2S — CID 66221749

IUPAC1-(5-bromo-1,3-thiazol-2-yl)cyclohexan-1-amine
SMILESNC1(c2ncc(Br)s2)CCCCC1
InChIInChI=1S/C9H13BrN2S/c10-7-6-12-8(13-7)9(11)4-2-1-3-5-9/h6H,1-5,11H2
InChIKeyRPIJIYOOSBLUOQ-UHFFFAOYSA-N
MW261.19 g/mol
LogP3.02
Rot. Bonds1

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

1-(5-bromo-1,3-thiazol-2-yl)cyclohexan-1-amine (PubChem CID 66221749) has the molecular formula C9H13BrN2S and a molecular weight of 261.19 g/mol. Its IUPAC name is 1-(5-bromo-1,3-thiazol-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(5-bromo-1,3-thiazol-2-yl)cyclohexan-1-amine
PubChem CID66221749
Molecular FormulaC9H13BrN2S
Molecular Weight261.19 g/mol
Exact Mass260.00
IUPAC Name1-(5-bromo-1,3-thiazol-2-yl)cyclohexan-1-amine
SMILESNC1(c2ncc(Br)s2)CCCCC1
InChIInChI=1S/C9H13BrN2S/c10-7-6-12-8(13-7)9(11)4-2-1-3-5-9/h6H,1-5,11H2
InChIKeyRPIJIYOOSBLUOQ-UHFFFAOYSA-N
XLogP3.02
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 ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-1,3-thiazol-2-yl)cyclohexan-1-amine?
The IUPAC name of 1-(5-bromo-1,3-thiazol-2-yl)cyclohexan-1-amine (CID 66221749) is 1-(5-bromo-1,3-thiazol-2-yl)cyclohexan-1-amine.
What is the SMILES notation for 1-(5-bromo-1,3-thiazol-2-yl)cyclohexan-1-amine?
The canonical SMILES for 1-(5-bromo-1,3-thiazol-2-yl)cyclohexan-1-amine is NC1(c2ncc(Br)s2)CCCCC1.
What is the InChIKey of 1-(5-bromo-1,3-thiazol-2-yl)cyclohexan-1-amine?
The InChIKey is RPIJIYOOSBLUOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2S/c10-7-6-12-8(13-7)9(11)4-2-1-3-5-9/h6H,1-5,11H2.
What are the key properties of 1-(5-bromo-1,3-thiazol-2-yl)cyclohexan-1-amine?
1-(5-bromo-1,3-thiazol-2-yl)cyclohexan-1-amine has a molecular weight of 261.19 g/mol, XLogP of 3.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-1,3-thiazol-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 66221749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).