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

C7H10BrN3S — CID 64622427

IUPAC5-bromo-N-(cyclopropylmethyl)-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCN(CC1CC1)c1nnc(Br)s1
InChIInChI=1S/C7H10BrN3S/c1-11(4-5-2-3-5)7-10-9-6(8)12-7/h5H,2-4H2,1H3
InChIKeyUQTXMLIOLMPETE-UHFFFAOYSA-N
MW248.15 g/mol
LogP2.15
Rot. Bonds3

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

5-bromo-N-(cyclopropylmethyl)-N-methyl-1,3,4-thiadiazol-2-amine (PubChem CID 64622427) has the molecular formula C7H10BrN3S and a molecular weight of 248.15 g/mol. Its IUPAC name is 5-bromo-N-(cyclopropylmethyl)-N-methyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-bromo-N-(cyclopropylmethyl)-N-methyl-1,3,4-thiadiazol-2-amine
PubChem CID64622427
Molecular FormulaC7H10BrN3S
Molecular Weight248.15 g/mol
Exact Mass246.98
IUPAC Name5-bromo-N-(cyclopropylmethyl)-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCN(CC1CC1)c1nnc(Br)s1
InChIInChI=1S/C7H10BrN3S/c1-11(4-5-2-3-5)7-10-9-6(8)12-7/h5H,2-4H2,1H3
InChIKeyUQTXMLIOLMPETE-UHFFFAOYSA-N
XLogP2.15
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.15
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(cyclopropylmethyl)-N-methyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-bromo-N-(cyclopropylmethyl)-N-methyl-1,3,4-thiadiazol-2-amine (CID 64622427) is 5-bromo-N-(cyclopropylmethyl)-N-methyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-bromo-N-(cyclopropylmethyl)-N-methyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-bromo-N-(cyclopropylmethyl)-N-methyl-1,3,4-thiadiazol-2-amine is CN(CC1CC1)c1nnc(Br)s1.
What is the InChIKey of 5-bromo-N-(cyclopropylmethyl)-N-methyl-1,3,4-thiadiazol-2-amine?
The InChIKey is UQTXMLIOLMPETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrN3S/c1-11(4-5-2-3-5)7-10-9-6(8)12-7/h5H,2-4H2,1H3.
What are the key properties of 5-bromo-N-(cyclopropylmethyl)-N-methyl-1,3,4-thiadiazol-2-amine?
5-bromo-N-(cyclopropylmethyl)-N-methyl-1,3,4-thiadiazol-2-amine has a molecular weight of 248.15 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(cyclopropylmethyl)-N-methyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 64622427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).