5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-1,3,4-thiadiazol-2-amine

C9H12BrN3S — CID 64622875

IUPAC5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-1,3,4-thiadiazol-2-amine
SMILESBrc1nnc(N(CC2CC2)C2CC2)s1
InChIInChI=1S/C9H12BrN3S/c10-8-11-12-9(14-8)13(7-3-4-7)5-6-1-2-6/h6-7H,1-5H2
InChIKeyVJSQZCJXGSXHGX-UHFFFAOYSA-N
MW274.19 g/mol
LogP2.68
Rot. Bonds4

About 5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-1,3,4-thiadiazol-2-amine

5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 64622875) has the molecular formula C9H12BrN3S and a molecular weight of 274.19 g/mol. Its IUPAC name is 5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-1,3,4-thiadiazol-2-amine
PubChem CID64622875
Molecular FormulaC9H12BrN3S
Molecular Weight274.19 g/mol
Exact Mass272.99
IUPAC Name5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-1,3,4-thiadiazol-2-amine
SMILESBrc1nnc(N(CC2CC2)C2CC2)s1
InChIInChI=1S/C9H12BrN3S/c10-8-11-12-9(14-8)13(7-3-4-7)5-6-1-2-6/h6-7H,1-5H2
InChIKeyVJSQZCJXGSXHGX-UHFFFAOYSA-N
XLogP2.68
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.19
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-(cyclopropylmethyl)-N-propyl-1,3,4-thiadiazol-2-amine
CID 64622216
5-bromo-N-butyl-N-cyclopropyl-1,3,4-thiadiazol-2-amine
CID 64622219
5-bromo-N-(cyclopropylmethyl)-N-propan-2-yl-1,3,4-thiadiazol-2-amine
CID 64622224
5-bromo-N-butan-2-yl-N-butyl-1,3,4-thiadiazol-2-amine
CID 64622225
5-bromo-N-(cyclopropylmethyl)-N-methyl-1,3,4-thiadiazol-2-amine
CID 64622427
5-bromo-N-cyclopropyl-N-ethyl-1,3,4-thiadiazol-2-amine
CID 64623880
5-bromo-N-cyclopropyl-N-methyl-1,3,4-thiadiazol-2-amine
CID 64623881
5-bromo-N-(1-cyclopropylethyl)-N-methyl-1,3,4-thiadiazol-2-amine
CID 64623887
5-bromo-N-methyl-N-(3-methylbutan-2-yl)-1,3,4-thiadiazol-2-amine
CID 64623888
5-bromo-N-methyl-N-[(2-methylcyclopropyl)methyl]-1,3,4-thiadiazol-2-amine
CID 64623917
5-bromo-N-propan-2-yl-N-propyl-1,3,4-thiadiazol-2-amine
CID 64624091
5-bromo-N-cyclopropyl-N-propyl-1,3,4-thiadiazol-2-amine
CID 64624092

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-1,3,4-thiadiazol-2-amine (CID 64622875) is 5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-1,3,4-thiadiazol-2-amine is Brc1nnc(N(CC2CC2)C2CC2)s1.
What is the InChIKey of 5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is VJSQZCJXGSXHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN3S/c10-8-11-12-9(14-8)13(7-3-4-7)5-6-1-2-6/h6-7H,1-5H2.
What are the key properties of 5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-1,3,4-thiadiazol-2-amine?
5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 274.19 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 64622875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).