(1S)-N,N-dimethyl-1-[4-(5-propyl-1,3,4-thiadiazol-2-yl)phenyl]ethanamine

C15H21N3S — CID 126449172

IUPAC(1S)-N,N-dimethyl-1-[4-(5-propyl-1,3,4-thiadiazol-2-yl)phenyl]ethanamine
SMILESCCCc1nnc(-c2ccc([C@H](C)N(C)C)cc2)s1
InChIInChI=1S/C15H21N3S/c1-5-6-14-16-17-15(19-14)13-9-7-12(8-10-13)11(2)18(3)4/h7-11H,5-6H2,1-4H3/t11-/m0/s1
InChIKeyJRPHCYJMQPBNEP-NSHDSACASA-N
MW275.42 g/mol
LogP3.78
Rot. Bonds5

About (1S)-N,N-dimethyl-1-[4-(5-propyl-1,3,4-thiadiazol-2-yl)phenyl]ethanamine

(1S)-N,N-dimethyl-1-[4-(5-propyl-1,3,4-thiadiazol-2-yl)phenyl]ethanamine (PubChem CID 126449172) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is (1S)-N,N-dimethyl-1-[4-(5-propyl-1,3,4-thiadiazol-2-yl)phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-N,N-dimethyl-1-[4-(5-propyl-1,3,4-thiadiazol-2-yl)phenyl]ethanamine
PubChem CID126449172
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC Name(1S)-N,N-dimethyl-1-[4-(5-propyl-1,3,4-thiadiazol-2-yl)phenyl]ethanamine
SMILESCCCc1nnc(-c2ccc([C@H](C)N(C)C)cc2)s1
InChIInChI=1S/C15H21N3S/c1-5-6-14-16-17-15(19-14)13-9-7-12(8-10-13)11(2)18(3)4/h7-11H,5-6H2,1-4H3/t11-/m0/s1
InChIKeyJRPHCYJMQPBNEP-NSHDSACASA-N
XLogP3.78
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S)-N,N-dimethyl-1-[4-(5-propyl-1,3,4-thiadiazol-2-yl)phenyl]ethanamine?
The IUPAC name of (1S)-N,N-dimethyl-1-[4-(5-propyl-1,3,4-thiadiazol-2-yl)phenyl]ethanamine (CID 126449172) is (1S)-N,N-dimethyl-1-[4-(5-propyl-1,3,4-thiadiazol-2-yl)phenyl]ethanamine.
What is the SMILES notation for (1S)-N,N-dimethyl-1-[4-(5-propyl-1,3,4-thiadiazol-2-yl)phenyl]ethanamine?
The canonical SMILES for (1S)-N,N-dimethyl-1-[4-(5-propyl-1,3,4-thiadiazol-2-yl)phenyl]ethanamine is CCCc1nnc(-c2ccc([C@H](C)N(C)C)cc2)s1.
What is the InChIKey of (1S)-N,N-dimethyl-1-[4-(5-propyl-1,3,4-thiadiazol-2-yl)phenyl]ethanamine?
The InChIKey is JRPHCYJMQPBNEP-NSHDSACASA-N. The full InChI is InChI=1S/C15H21N3S/c1-5-6-14-16-17-15(19-14)13-9-7-12(8-10-13)11(2)18(3)4/h7-11H,5-6H2,1-4H3/t11-/m0/s1.
What are the key properties of (1S)-N,N-dimethyl-1-[4-(5-propyl-1,3,4-thiadiazol-2-yl)phenyl]ethanamine?
(1S)-N,N-dimethyl-1-[4-(5-propyl-1,3,4-thiadiazol-2-yl)phenyl]ethanamine has a molecular weight of 275.42 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N,N-dimethyl-1-[4-(5-propyl-1,3,4-thiadiazol-2-yl)phenyl]ethanamine is sourced from PubChem (CID 126449172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).