(1R)-1-[4-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]ethanamine

C11H13N3S — CID 178138250

IUPAC(1R)-1-[4-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]ethanamine
SMILESCc1nnc(-c2ccc([C@@H](C)N)cc2)s1
InChIInChI=1S/C11H13N3S/c1-7(12)9-3-5-10(6-4-9)11-14-13-8(2)15-11/h3-7H,12H2,1-2H3/t7-/m1/s1
InChIKeyLFUWRHRUSHXVGC-SSDOTTSWSA-N
MW219.31 g/mol
LogP2.53
Rot. Bonds2

About (1R)-1-[4-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]ethanamine

(1R)-1-[4-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]ethanamine (PubChem CID 178138250) has the molecular formula C11H13N3S and a molecular weight of 219.31 g/mol. Its IUPAC name is (1R)-1-[4-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[4-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]ethanamine
PubChem CID178138250
Molecular FormulaC11H13N3S
Molecular Weight219.31 g/mol
Exact Mass219.08
IUPAC Name(1R)-1-[4-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]ethanamine
SMILESCc1nnc(-c2ccc([C@@H](C)N)cc2)s1
InChIInChI=1S/C11H13N3S/c1-7(12)9-3-5-10(6-4-9)11-14-13-8(2)15-11/h3-7H,12H2,1-2H3/t7-/m1/s1
InChIKeyLFUWRHRUSHXVGC-SSDOTTSWSA-N
XLogP2.53
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]ethanamine?
The IUPAC name of (1R)-1-[4-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]ethanamine (CID 178138250) is (1R)-1-[4-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]ethanamine.
What is the SMILES notation for (1R)-1-[4-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]ethanamine?
The canonical SMILES for (1R)-1-[4-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]ethanamine is Cc1nnc(-c2ccc([C@@H](C)N)cc2)s1.
What is the InChIKey of (1R)-1-[4-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]ethanamine?
The InChIKey is LFUWRHRUSHXVGC-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H13N3S/c1-7(12)9-3-5-10(6-4-9)11-14-13-8(2)15-11/h3-7H,12H2,1-2H3/t7-/m1/s1.
What are the key properties of (1R)-1-[4-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]ethanamine?
(1R)-1-[4-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]ethanamine has a molecular weight of 219.31 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]ethanamine is sourced from PubChem (CID 178138250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).