(1S)-1-[4-(2,4-dimethyl-1,3-thiazol-5-yl)phenyl]-N,N-dimethylethanamine

C15H20N2S — CID 164633517

IUPAC(1S)-1-[4-(2,4-dimethyl-1,3-thiazol-5-yl)phenyl]-N,N-dimethylethanamine
SMILESCc1nc(C)c(-c2ccc([C@H](C)N(C)C)cc2)s1
InChIInChI=1S/C15H20N2S/c1-10-15(18-12(3)16-10)14-8-6-13(7-9-14)11(2)17(4)5/h6-9,11H,1-5H3/t11-/m0/s1
InChIKeyWBDLZVYRAYVZHV-NSHDSACASA-N
MW260.41 g/mol
LogP4.05
Rot. Bonds3

About (1S)-1-[4-(2,4-dimethyl-1,3-thiazol-5-yl)phenyl]-N,N-dimethylethanamine

(1S)-1-[4-(2,4-dimethyl-1,3-thiazol-5-yl)phenyl]-N,N-dimethylethanamine (PubChem CID 164633517) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is (1S)-1-[4-(2,4-dimethyl-1,3-thiazol-5-yl)phenyl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name(1S)-1-[4-(2,4-dimethyl-1,3-thiazol-5-yl)phenyl]-N,N-dimethylethanamine
PubChem CID164633517
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC Name(1S)-1-[4-(2,4-dimethyl-1,3-thiazol-5-yl)phenyl]-N,N-dimethylethanamine
SMILESCc1nc(C)c(-c2ccc([C@H](C)N(C)C)cc2)s1
InChIInChI=1S/C15H20N2S/c1-10-15(18-12(3)16-10)14-8-6-13(7-9-14)11(2)17(4)5/h6-9,11H,1-5H3/t11-/m0/s1
InChIKeyWBDLZVYRAYVZHV-NSHDSACASA-N
XLogP4.05
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-(2,4-dimethyl-1,3-thiazol-5-yl)phenyl]-N,N-dimethylethanamine?
The IUPAC name of (1S)-1-[4-(2,4-dimethyl-1,3-thiazol-5-yl)phenyl]-N,N-dimethylethanamine (CID 164633517) is (1S)-1-[4-(2,4-dimethyl-1,3-thiazol-5-yl)phenyl]-N,N-dimethylethanamine.
What is the SMILES notation for (1S)-1-[4-(2,4-dimethyl-1,3-thiazol-5-yl)phenyl]-N,N-dimethylethanamine?
The canonical SMILES for (1S)-1-[4-(2,4-dimethyl-1,3-thiazol-5-yl)phenyl]-N,N-dimethylethanamine is Cc1nc(C)c(-c2ccc([C@H](C)N(C)C)cc2)s1.
What is the InChIKey of (1S)-1-[4-(2,4-dimethyl-1,3-thiazol-5-yl)phenyl]-N,N-dimethylethanamine?
The InChIKey is WBDLZVYRAYVZHV-NSHDSACASA-N. The full InChI is InChI=1S/C15H20N2S/c1-10-15(18-12(3)16-10)14-8-6-13(7-9-14)11(2)17(4)5/h6-9,11H,1-5H3/t11-/m0/s1.
What are the key properties of (1S)-1-[4-(2,4-dimethyl-1,3-thiazol-5-yl)phenyl]-N,N-dimethylethanamine?
(1S)-1-[4-(2,4-dimethyl-1,3-thiazol-5-yl)phenyl]-N,N-dimethylethanamine has a molecular weight of 260.41 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-(2,4-dimethyl-1,3-thiazol-5-yl)phenyl]-N,N-dimethylethanamine is sourced from PubChem (CID 164633517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).