4-bromo-N-cycloheptyl-N-methyl-1,3-thiazol-2-amine

C11H17BrN2S — CID 79398780

IUPAC4-bromo-N-cycloheptyl-N-methyl-1,3-thiazol-2-amine
SMILESCN(c1nc(Br)cs1)C1CCCCCC1
InChIInChI=1S/C11H17BrN2S/c1-14(11-13-10(12)8-15-11)9-6-4-2-3-5-7-9/h8-9H,2-7H2,1H3
InChIKeyVFGADBWXHHRXRC-UHFFFAOYSA-N
MW289.24 g/mol
LogP4.06
Rot. Bonds2

About 4-bromo-N-cycloheptyl-N-methyl-1,3-thiazol-2-amine

4-bromo-N-cycloheptyl-N-methyl-1,3-thiazol-2-amine (PubChem CID 79398780) has the molecular formula C11H17BrN2S and a molecular weight of 289.24 g/mol. Its IUPAC name is 4-bromo-N-cycloheptyl-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-bromo-N-cycloheptyl-N-methyl-1,3-thiazol-2-amine
PubChem CID79398780
Molecular FormulaC11H17BrN2S
Molecular Weight289.24 g/mol
Exact Mass288.03
IUPAC Name4-bromo-N-cycloheptyl-N-methyl-1,3-thiazol-2-amine
SMILESCN(c1nc(Br)cs1)C1CCCCCC1
InChIInChI=1S/C11H17BrN2S/c1-14(11-13-10(12)8-15-11)9-6-4-2-3-5-7-9/h8-9H,2-7H2,1H3
InChIKeyVFGADBWXHHRXRC-UHFFFAOYSA-N
XLogP4.06
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.24
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-cycloheptyl-N-methyl-1,3-thiazol-2-amine?
The IUPAC name of 4-bromo-N-cycloheptyl-N-methyl-1,3-thiazol-2-amine (CID 79398780) is 4-bromo-N-cycloheptyl-N-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-bromo-N-cycloheptyl-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-bromo-N-cycloheptyl-N-methyl-1,3-thiazol-2-amine is CN(c1nc(Br)cs1)C1CCCCCC1.
What is the InChIKey of 4-bromo-N-cycloheptyl-N-methyl-1,3-thiazol-2-amine?
The InChIKey is VFGADBWXHHRXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2S/c1-14(11-13-10(12)8-15-11)9-6-4-2-3-5-7-9/h8-9H,2-7H2,1H3.
What are the key properties of 4-bromo-N-cycloheptyl-N-methyl-1,3-thiazol-2-amine?
4-bromo-N-cycloheptyl-N-methyl-1,3-thiazol-2-amine has a molecular weight of 289.24 g/mol, XLogP of 4.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-cycloheptyl-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 79398780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).