N-[2-(5-bromothiophen-2-yl)ethyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine

C11H12BrN3S2 — CID 103736381

IUPACN-[2-(5-bromothiophen-2-yl)ethyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine
SMILESBrc1ccc(CCNc2nc(C3CC3)ns2)s1
InChIInChI=1S/C11H12BrN3S2/c12-9-4-3-8(16-9)5-6-13-11-14-10(15-17-11)7-1-2-7/h3-4,7H,1-2,5-6H2,(H,13,14,15)
InChIKeyRVSHBYBBNYLZDK-UHFFFAOYSA-N
MW330.28 g/mol
LogP3.89
Rot. Bonds5

About N-[2-(5-bromothiophen-2-yl)ethyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine

N-[2-(5-bromothiophen-2-yl)ethyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine (PubChem CID 103736381) has the molecular formula C11H12BrN3S2 and a molecular weight of 330.28 g/mol. Its IUPAC name is N-[2-(5-bromothiophen-2-yl)ethyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[2-(5-bromothiophen-2-yl)ethyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine
PubChem CID103736381
Molecular FormulaC11H12BrN3S2
Molecular Weight330.28 g/mol
Exact Mass328.97
IUPAC NameN-[2-(5-bromothiophen-2-yl)ethyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine
SMILESBrc1ccc(CCNc2nc(C3CC3)ns2)s1
InChIInChI=1S/C11H12BrN3S2/c12-9-4-3-8(16-9)5-6-13-11-14-10(15-17-11)7-1-2-7/h3-4,7H,1-2,5-6H2,(H,13,14,15)
InChIKeyRVSHBYBBNYLZDK-UHFFFAOYSA-N
XLogP3.89
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.28
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine (CID 103736381) is N-[2-(5-bromothiophen-2-yl)ethyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[2-(5-bromothiophen-2-yl)ethyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[2-(5-bromothiophen-2-yl)ethyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine is Brc1ccc(CCNc2nc(C3CC3)ns2)s1.
What is the InChIKey of N-[2-(5-bromothiophen-2-yl)ethyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine?
The InChIKey is RVSHBYBBNYLZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3S2/c12-9-4-3-8(16-9)5-6-13-11-14-10(15-17-11)7-1-2-7/h3-4,7H,1-2,5-6H2,(H,13,14,15).
What are the key properties of N-[2-(5-bromothiophen-2-yl)ethyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine?
N-[2-(5-bromothiophen-2-yl)ethyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine has a molecular weight of 330.28 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromothiophen-2-yl)ethyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 103736381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).