5-methyl-1,3,4-thiadiazol-2-amine bromide

C3H5BrN3S- — CID 21205113

IUPAC5-methyl-1,3,4-thiadiazol-2-amine bromide
SMILESCc1nnc(N)s1.[Br-]
InChIInChI=1S/C3H5N3S.BrH/c1-2-5-6-3(4)7-2;/h1H3,(H2,4,6);1H/p-1
InChIKeyGSUUOBLVZLMFED-UHFFFAOYSA-M
MW195.06 g/mol
LogP-2.57
Rot. Bonds

About 5-methyl-1,3,4-thiadiazol-2-amine bromide

5-methyl-1,3,4-thiadiazol-2-amine bromide (PubChem CID 21205113) has the molecular formula C3H5BrN3S- and a molecular weight of 195.06 g/mol. Its IUPAC name is 5-methyl-1,3,4-thiadiazol-2-amine bromide.

Molecular Properties

Compound Name5-methyl-1,3,4-thiadiazol-2-amine bromide
PubChem CID21205113
Molecular FormulaC3H5BrN3S-
Molecular Weight195.06 g/mol
Exact Mass193.94
IUPAC Name5-methyl-1,3,4-thiadiazol-2-amine bromide
SMILESCc1nnc(N)s1.[Br-]
InChIInChI=1S/C3H5N3S.BrH/c1-2-5-6-3(4)7-2;/h1H3,(H2,4,6);1H/p-1
InChIKeyGSUUOBLVZLMFED-UHFFFAOYSA-M
XLogP-2.57
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.06
LogP ≤ 5-2.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Amino-5-ethyl-1,3,4-thiadiazole
CID 26444
1,3,4-Thiadiazole, 2-amino-5-methyl-
CID 66949
5-Propyl-1,3,4-thiadiazol-2-amine
CID 575394
1,3,4-Thiadiazole, 2-amino-5-methyl-, hydrochloride
CID 3044825
1,3,4-Thiadiazole, 2-amino-5-ethyl-, hydrochloride
CID 11971454
5-(Fluoromethyl)-1,3,4-thiadiazol-2-amine
CID 53418307
5-(Aminomethyl)-1,3,4-thiadiazol-2-amine
CID 45032343
(S)-5-(1-Fluoroethyl)-1,3,4-thiadiazol-2-amine
CID 86700919
5-(1-Fluoroethyl)-1,3,4-thiadiazol-2-amine
CID 89872634
1,3,4-Thiadiazole, 2-amino-5-(mercaptomethyl)-
CID 4771130
5-(Chloromethyl)-1,3,4-thiadiazol-2-amine
CID 15031706
2-Hydrazinyl-5-methyl-1,3,4-thiadiazole
CID 16484271

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1,3,4-thiadiazol-2-amine bromide?
The IUPAC name of 5-methyl-1,3,4-thiadiazol-2-amine bromide (CID 21205113) is 5-methyl-1,3,4-thiadiazol-2-amine bromide.
What is the SMILES notation for 5-methyl-1,3,4-thiadiazol-2-amine bromide?
The canonical SMILES for 5-methyl-1,3,4-thiadiazol-2-amine bromide is Cc1nnc(N)s1.[Br-].
What is the InChIKey of 5-methyl-1,3,4-thiadiazol-2-amine bromide?
The InChIKey is GSUUOBLVZLMFED-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H5N3S.BrH/c1-2-5-6-3(4)7-2;/h1H3,(H2,4,6);1H/p-1.
What are the key properties of 5-methyl-1,3,4-thiadiazol-2-amine bromide?
5-methyl-1,3,4-thiadiazol-2-amine bromide has a molecular weight of 195.06 g/mol, XLogP of -2.57, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1,3,4-thiadiazol-2-amine bromide is sourced from PubChem (CID 21205113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).