5-bromo-N-[2-(4-methylcyclohexyl)ethyl]-1,3,4-thiadiazol-2-amine

C11H18BrN3S — CID 64625135

IUPAC5-bromo-N-[2-(4-methylcyclohexyl)ethyl]-1,3,4-thiadiazol-2-amine
SMILESCC1CCC(CCNc2nnc(Br)s2)CC1
InChIInChI=1S/C11H18BrN3S/c1-8-2-4-9(5-3-8)6-7-13-11-15-14-10(12)16-11/h8-9H,2-7H2,1H3,(H,13,15)
InChIKeyAKVXXDMRXVBSFG-UHFFFAOYSA-N
MW304.26 g/mol
LogP3.93
Rot. Bonds4

About 5-bromo-N-[2-(4-methylcyclohexyl)ethyl]-1,3,4-thiadiazol-2-amine

5-bromo-N-[2-(4-methylcyclohexyl)ethyl]-1,3,4-thiadiazol-2-amine (PubChem CID 64625135) has the molecular formula C11H18BrN3S and a molecular weight of 304.26 g/mol. Its IUPAC name is 5-bromo-N-[2-(4-methylcyclohexyl)ethyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-bromo-N-[2-(4-methylcyclohexyl)ethyl]-1,3,4-thiadiazol-2-amine
PubChem CID64625135
Molecular FormulaC11H18BrN3S
Molecular Weight304.26 g/mol
Exact Mass303.04
IUPAC Name5-bromo-N-[2-(4-methylcyclohexyl)ethyl]-1,3,4-thiadiazol-2-amine
SMILESCC1CCC(CCNc2nnc(Br)s2)CC1
InChIInChI=1S/C11H18BrN3S/c1-8-2-4-9(5-3-8)6-7-13-11-15-14-10(12)16-11/h8-9H,2-7H2,1H3,(H,13,15)
InChIKeyAKVXXDMRXVBSFG-UHFFFAOYSA-N
XLogP3.93
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.26
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(4-methylcyclohexyl)ethyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-bromo-N-[2-(4-methylcyclohexyl)ethyl]-1,3,4-thiadiazol-2-amine (CID 64625135) is 5-bromo-N-[2-(4-methylcyclohexyl)ethyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-bromo-N-[2-(4-methylcyclohexyl)ethyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-bromo-N-[2-(4-methylcyclohexyl)ethyl]-1,3,4-thiadiazol-2-amine is CC1CCC(CCNc2nnc(Br)s2)CC1.
What is the InChIKey of 5-bromo-N-[2-(4-methylcyclohexyl)ethyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is AKVXXDMRXVBSFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3S/c1-8-2-4-9(5-3-8)6-7-13-11-15-14-10(12)16-11/h8-9H,2-7H2,1H3,(H,13,15).
What are the key properties of 5-bromo-N-[2-(4-methylcyclohexyl)ethyl]-1,3,4-thiadiazol-2-amine?
5-bromo-N-[2-(4-methylcyclohexyl)ethyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 304.26 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(4-methylcyclohexyl)ethyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 64625135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).