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

C10H16BrN3S — CID 103764981

IUPAC5-bromo-N-[(1-ethylcyclopentyl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCCC1(CNc2nnc(Br)s2)CCCC1
InChIInChI=1S/C10H16BrN3S/c1-2-10(5-3-4-6-10)7-12-9-14-13-8(11)15-9/h2-7H2,1H3,(H,12,14)
InChIKeyVRMZXVTUNISUGI-UHFFFAOYSA-N
MW290.23 g/mol
LogP3.68
Rot. Bonds4

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

5-bromo-N-[(1-ethylcyclopentyl)methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 103764981) has the molecular formula C10H16BrN3S and a molecular weight of 290.23 g/mol. Its IUPAC name is 5-bromo-N-[(1-ethylcyclopentyl)methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-bromo-N-[(1-ethylcyclopentyl)methyl]-1,3,4-thiadiazol-2-amine
PubChem CID103764981
Molecular FormulaC10H16BrN3S
Molecular Weight290.23 g/mol
Exact Mass289.02
IUPAC Name5-bromo-N-[(1-ethylcyclopentyl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCCC1(CNc2nnc(Br)s2)CCCC1
InChIInChI=1S/C10H16BrN3S/c1-2-10(5-3-4-6-10)7-12-9-14-13-8(11)15-9/h2-7H2,1H3,(H,12,14)
InChIKeyVRMZXVTUNISUGI-UHFFFAOYSA-N
XLogP3.68
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-(1-methylcyclopentyl)-1,3,4-thiadiazol-2-amine
CID 64687683
2-[1-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]cyclopropyl]ethanol
CID 114749612
2-[1-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]cyclobutyl]acetic acid
CID 81160973
N-[[1-(chloromethyl)cyclopropyl]methyl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 115455734
5-bromo-N-(cyclobutylmethyl)-1,3,4-thiadiazol-2-amine
CID 64624511
N-[(1-ethylcyclopentyl)methyl]-1-(thiadiazol-4-yl)methanamine
CID 115908125
5-methyl-N-[(4-propylpiperidin-4-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 114280635
[1-[[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopentyl]methanol
CID 115360719
2-bromo-1-N-[(1-ethylcyclopentyl)methyl]-5-methylbenzene-1,4-diamine
CID 114124625
[1-[[(4-ethyl-1,3-thiazol-2-yl)amino]methyl]cyclopentyl]methanol
CID 115360729
5-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 64622627
N-[(1-ethylcyclopentyl)methyl]-6-methylpyrimidin-4-amine
CID 103764979

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(1-ethylcyclopentyl)methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-bromo-N-[(1-ethylcyclopentyl)methyl]-1,3,4-thiadiazol-2-amine (CID 103764981) is 5-bromo-N-[(1-ethylcyclopentyl)methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-bromo-N-[(1-ethylcyclopentyl)methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-bromo-N-[(1-ethylcyclopentyl)methyl]-1,3,4-thiadiazol-2-amine is CCC1(CNc2nnc(Br)s2)CCCC1.
What is the InChIKey of 5-bromo-N-[(1-ethylcyclopentyl)methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is VRMZXVTUNISUGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3S/c1-2-10(5-3-4-6-10)7-12-9-14-13-8(11)15-9/h2-7H2,1H3,(H,12,14).
What are the key properties of 5-bromo-N-[(1-ethylcyclopentyl)methyl]-1,3,4-thiadiazol-2-amine?
5-bromo-N-[(1-ethylcyclopentyl)methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 290.23 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(1-ethylcyclopentyl)methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 103764981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).