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

C10H11BrN4S — CID 82748895

IUPAC5-bromo-N-[(3-ethyl-2-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCCc1cccnc1CNc1nnc(Br)s1
InChIInChI=1S/C10H11BrN4S/c1-2-7-4-3-5-12-8(7)6-13-10-15-14-9(11)16-10/h3-5H,2,6H2,1H3,(H,13,15)
InChIKeyUUCXHPBLXJXRTK-UHFFFAOYSA-N
MW299.20 g/mol
LogP2.87
Rot. Bonds4

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

5-bromo-N-[(3-ethyl-2-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 82748895) has the molecular formula C10H11BrN4S and a molecular weight of 299.20 g/mol. Its IUPAC name is 5-bromo-N-[(3-ethyl-2-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-bromo-N-[(3-ethyl-2-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine
PubChem CID82748895
Molecular FormulaC10H11BrN4S
Molecular Weight299.20 g/mol
Exact Mass297.99
IUPAC Name5-bromo-N-[(3-ethyl-2-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCCc1cccnc1CNc1nnc(Br)s1
InChIInChI=1S/C10H11BrN4S/c1-2-7-4-3-5-12-8(7)6-13-10-15-14-9(11)16-10/h3-5H,2,6H2,1H3,(H,13,15)
InChIKeyUUCXHPBLXJXRTK-UHFFFAOYSA-N
XLogP2.87
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.20
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-ethyl-2-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine
CID 82739373
N-[(3-ethyl-2-pyridinyl)methyl]-1,2,4-thiadiazol-5-amine
CID 82739102
7-chloro-N-[(3-ethyl-2-pyridinyl)methyl]-1,3-benzothiazol-2-amine
CID 82741856
2-[(3-ethyl-2-pyridinyl)methylamino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 82745641
5-bromo-N-[(2-methylphenyl)methyl]-1,3,4-thiadiazol-2-amine
CID 64625511
1-(5-bromothiophen-2-yl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine
CID 82731897
2-[[(5-bromo-1,3,4-thiadiazol-2-yl)amino]methyl]phenol
CID 103911742
N-[(3-ethyl-2-pyridinyl)methyl]-5,6-dimethyl-1,2,4-triazin-3-amine
CID 114786832
5-bromo-N-[(2-chlorophenyl)methyl]-1,3,4-thiadiazol-2-amine
CID 64624509
ethyl 2-[(3-ethyl-2-pyridinyl)methylamino]-1,3-thiazole-4-carboxylate
CID 82746082
2,3-diethylpyridine
CID 14747123
2-[(3-ethyl-2-pyridinyl)methylamino]ethanol
CID 82738095

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(3-ethyl-2-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-bromo-N-[(3-ethyl-2-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine (CID 82748895) is 5-bromo-N-[(3-ethyl-2-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-bromo-N-[(3-ethyl-2-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-bromo-N-[(3-ethyl-2-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine is CCc1cccnc1CNc1nnc(Br)s1.
What is the InChIKey of 5-bromo-N-[(3-ethyl-2-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is UUCXHPBLXJXRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN4S/c1-2-7-4-3-5-12-8(7)6-13-10-15-14-9(11)16-10/h3-5H,2,6H2,1H3,(H,13,15).
What are the key properties of 5-bromo-N-[(3-ethyl-2-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine?
5-bromo-N-[(3-ethyl-2-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 299.20 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(3-ethyl-2-pyridinyl)methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 82748895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).