5-(5-bromo-2-methylphenyl)-N-(2-pyridin-4-ylethyl)-1,3,4-thiadiazol-2-amine

C16H15BrN4S — CID 166218387

IUPAC5-(5-bromo-2-methylphenyl)-N-(2-pyridin-4-ylethyl)-1,3,4-thiadiazol-2-amine
SMILESCc1ccc(Br)cc1-c1nnc(NCCc2ccncc2)s1
InChIInChI=1S/C16H15BrN4S/c1-11-2-3-13(17)10-14(11)15-20-21-16(22-15)19-9-6-12-4-7-18-8-5-12/h2-5,7-8,10H,6,9H2,1H3,(H,19,21)
InChIKeyGGQFNXFNPIZKTH-UHFFFAOYSA-N
MW375.30 g/mol
LogP4.33
Rot. Bonds5

About 5-(5-bromo-2-methylphenyl)-N-(2-pyridin-4-ylethyl)-1,3,4-thiadiazol-2-amine

5-(5-bromo-2-methylphenyl)-N-(2-pyridin-4-ylethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 166218387) has the molecular formula C16H15BrN4S and a molecular weight of 375.30 g/mol. Its IUPAC name is 5-(5-bromo-2-methylphenyl)-N-(2-pyridin-4-ylethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(5-bromo-2-methylphenyl)-N-(2-pyridin-4-ylethyl)-1,3,4-thiadiazol-2-amine
PubChem CID166218387
Molecular FormulaC16H15BrN4S
Molecular Weight375.30 g/mol
Exact Mass374.02
IUPAC Name5-(5-bromo-2-methylphenyl)-N-(2-pyridin-4-ylethyl)-1,3,4-thiadiazol-2-amine
SMILESCc1ccc(Br)cc1-c1nnc(NCCc2ccncc2)s1
InChIInChI=1S/C16H15BrN4S/c1-11-2-3-13(17)10-14(11)15-20-21-16(22-15)19-9-6-12-4-7-18-8-5-12/h2-5,7-8,10H,6,9H2,1H3,(H,19,21)
InChIKeyGGQFNXFNPIZKTH-UHFFFAOYSA-N
XLogP4.33
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.30
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-2-methylphenyl)-N-(2-pyridin-4-ylethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(5-bromo-2-methylphenyl)-N-(2-pyridin-4-ylethyl)-1,3,4-thiadiazol-2-amine (CID 166218387) is 5-(5-bromo-2-methylphenyl)-N-(2-pyridin-4-ylethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(5-bromo-2-methylphenyl)-N-(2-pyridin-4-ylethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(5-bromo-2-methylphenyl)-N-(2-pyridin-4-ylethyl)-1,3,4-thiadiazol-2-amine is Cc1ccc(Br)cc1-c1nnc(NCCc2ccncc2)s1.
What is the InChIKey of 5-(5-bromo-2-methylphenyl)-N-(2-pyridin-4-ylethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is GGQFNXFNPIZKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN4S/c1-11-2-3-13(17)10-14(11)15-20-21-16(22-15)19-9-6-12-4-7-18-8-5-12/h2-5,7-8,10H,6,9H2,1H3,(H,19,21).
What are the key properties of 5-(5-bromo-2-methylphenyl)-N-(2-pyridin-4-ylethyl)-1,3,4-thiadiazol-2-amine?
5-(5-bromo-2-methylphenyl)-N-(2-pyridin-4-ylethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 375.30 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromo-2-methylphenyl)-N-(2-pyridin-4-ylethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 166218387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).