5-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3,4-thiadiazol-2-amine

C9H15BrN4S — CID 64622627

IUPAC5-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCCN1CCCC1CNc1nnc(Br)s1
InChIInChI=1S/C9H15BrN4S/c1-2-14-5-3-4-7(14)6-11-9-13-12-8(10)15-9/h7H,2-6H2,1H3,(H,11,13)
InChIKeyUSEXLSMDUKXIFS-UHFFFAOYSA-N
MW291.22 g/mol
LogP2.20
Rot. Bonds4

About 5-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3,4-thiadiazol-2-amine

5-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 64622627) has the molecular formula C9H15BrN4S and a molecular weight of 291.22 g/mol. Its IUPAC name is 5-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3,4-thiadiazol-2-amine
PubChem CID64622627
Molecular FormulaC9H15BrN4S
Molecular Weight291.22 g/mol
Exact Mass290.02
IUPAC Name5-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCCN1CCCC1CNc1nnc(Br)s1
InChIInChI=1S/C9H15BrN4S/c1-2-14-5-3-4-7(14)6-11-9-13-12-8(10)15-9/h7H,2-6H2,1H3,(H,11,13)
InChIKeyUSEXLSMDUKXIFS-UHFFFAOYSA-N
XLogP2.20
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.22
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methyl-1,3-benzothiazol-2-amine
CID 79142582
5-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridin-3-amine
CID 104531544
3-amino-4-cyclopropyl-5-[(1-ethylpyrrolidin-2-yl)methylamino]thiophene-2-carboxamide
CID 103426267
N-[(1-ethylpyrrolidin-2-yl)methyl]-3,4-dihydro-2H-pyrrol-5-amine
CID 78909269
5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 80625570
2-N-[(1-ethylpyrrolidin-2-yl)methyl]pyrimidine-2,5-diamine
CID 61146431
5-bromo-4-[(1-ethylpyrrolidin-2-yl)methylamino]-1H-pyridazin-6-one
CID 115576964
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine;molecular hydrogen
CID 162382985
5-[(1-ethylpyrrolidin-2-yl)methylamino]-1,3-thiazole-4-carboxylic acid
CID 64629675
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylpropan-1-amine
CID 43179044
3-amino-4-cyano-5-[(1-ethylpyrrolidin-2-yl)methylamino]thiophene-2-carboxamide
CID 103426278
4-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80777082

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3,4-thiadiazol-2-amine (CID 64622627) is 5-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3,4-thiadiazol-2-amine is CCN1CCCC1CNc1nnc(Br)s1.
What is the InChIKey of 5-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is USEXLSMDUKXIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BrN4S/c1-2-14-5-3-4-7(14)6-11-9-13-12-8(10)15-9/h7H,2-6H2,1H3,(H,11,13).
What are the key properties of 5-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3,4-thiadiazol-2-amine?
5-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 291.22 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 64622627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).