5-bromo-N-methyl-N-(thiophen-3-ylmethyl)-1,3,4-thiadiazol-2-amine

C8H8BrN3S2 — CID 64622630

IUPAC5-bromo-N-methyl-N-(thiophen-3-ylmethyl)-1,3,4-thiadiazol-2-amine
SMILESCN(Cc1ccsc1)c1nnc(Br)s1
InChIInChI=1S/C8H8BrN3S2/c1-12(4-6-2-3-13-5-6)8-11-10-7(9)14-8/h2-3,5H,4H2,1H3
InChIKeyLTKWEFISRWPWKH-UHFFFAOYSA-N
MW290.21 g/mol
LogP3.00
Rot. Bonds3

About 5-bromo-N-methyl-N-(thiophen-3-ylmethyl)-1,3,4-thiadiazol-2-amine

5-bromo-N-methyl-N-(thiophen-3-ylmethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 64622630) has the molecular formula C8H8BrN3S2 and a molecular weight of 290.21 g/mol. Its IUPAC name is 5-bromo-N-methyl-N-(thiophen-3-ylmethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-bromo-N-methyl-N-(thiophen-3-ylmethyl)-1,3,4-thiadiazol-2-amine
PubChem CID64622630
Molecular FormulaC8H8BrN3S2
Molecular Weight290.21 g/mol
Exact Mass288.93
IUPAC Name5-bromo-N-methyl-N-(thiophen-3-ylmethyl)-1,3,4-thiadiazol-2-amine
SMILESCN(Cc1ccsc1)c1nnc(Br)s1
InChIInChI=1S/C8H8BrN3S2/c1-12(4-6-2-3-13-5-6)8-11-10-7(9)14-8/h2-3,5H,4H2,1H3
InChIKeyLTKWEFISRWPWKH-UHFFFAOYSA-N
XLogP3.00
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.21
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 64623899
5-(1-aminoethyl)-N-methyl-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine
CID 62750166
5-bromo-N,6-dimethyl-N-(thiophen-3-ylmethyl)pyridin-2-amine
CID 103915087
4-(1-aminoethyl)-N-methyl-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine
CID 64545565
4-ethyl-N-methyl-5-(methylaminomethyl)-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine
CID 55117223
3-cyclopropyl-N-methyl-N-(thiophen-3-ylmethyl)-1,2,4-thiadiazol-5-amine
CID 133358527
N-methyl-5-[(2-methylpropylamino)methyl]-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine
CID 55112581
5-[1-(ethylamino)ethyl]-N,4-dimethyl-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine
CID 62751781
7-methyl-2-[methyl(thiophen-3-ylmethyl)amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 18166985
4-(chloromethyl)-N-methyl-N-(thiophen-3-ylmethyl)aniline
CID 43528420
N-methyl-6-(propylaminomethyl)-N-(thiophen-3-ylmethyl)pyridazin-3-amine
CID 62279753
6-chloro-5-ethyl-N-methyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine
CID 63730106

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-N-(thiophen-3-ylmethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-bromo-N-methyl-N-(thiophen-3-ylmethyl)-1,3,4-thiadiazol-2-amine (CID 64622630) is 5-bromo-N-methyl-N-(thiophen-3-ylmethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-bromo-N-methyl-N-(thiophen-3-ylmethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-bromo-N-methyl-N-(thiophen-3-ylmethyl)-1,3,4-thiadiazol-2-amine is CN(Cc1ccsc1)c1nnc(Br)s1.
What is the InChIKey of 5-bromo-N-methyl-N-(thiophen-3-ylmethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is LTKWEFISRWPWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrN3S2/c1-12(4-6-2-3-13-5-6)8-11-10-7(9)14-8/h2-3,5H,4H2,1H3.
What are the key properties of 5-bromo-N-methyl-N-(thiophen-3-ylmethyl)-1,3,4-thiadiazol-2-amine?
5-bromo-N-methyl-N-(thiophen-3-ylmethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 290.21 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-N-(thiophen-3-ylmethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 64622630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).