5-N-[2-(dimethylamino)ethyl]-5-N-methyl-4-phenyl-1,2-thiazole-3,5-diamine

C14H20N4S — CID 103381922

IUPAC5-N-[2-(dimethylamino)ethyl]-5-N-methyl-4-phenyl-1,2-thiazole-3,5-diamine
SMILESCN(C)CCN(C)c1snc(N)c1-c1ccccc1
InChIInChI=1S/C14H20N4S/c1-17(2)9-10-18(3)14-12(13(15)16-19-14)11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H2,15,16)
InChIKeyMZXFKFNSRKWAQY-UHFFFAOYSA-N
MW276.41 g/mol
LogP2.39
Rot. Bonds5

About 5-N-[2-(dimethylamino)ethyl]-5-N-methyl-4-phenyl-1,2-thiazole-3,5-diamine

5-N-[2-(dimethylamino)ethyl]-5-N-methyl-4-phenyl-1,2-thiazole-3,5-diamine (PubChem CID 103381922) has the molecular formula C14H20N4S and a molecular weight of 276.41 g/mol. Its IUPAC name is 5-N-[2-(dimethylamino)ethyl]-5-N-methyl-4-phenyl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-[2-(dimethylamino)ethyl]-5-N-methyl-4-phenyl-1,2-thiazole-3,5-diamine
PubChem CID103381922
Molecular FormulaC14H20N4S
Molecular Weight276.41 g/mol
Exact Mass276.14
IUPAC Name5-N-[2-(dimethylamino)ethyl]-5-N-methyl-4-phenyl-1,2-thiazole-3,5-diamine
SMILESCN(C)CCN(C)c1snc(N)c1-c1ccccc1
InChIInChI=1S/C14H20N4S/c1-17(2)9-10-18(3)14-12(13(15)16-19-14)11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H2,15,16)
InChIKeyMZXFKFNSRKWAQY-UHFFFAOYSA-N
XLogP2.39
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-N-[2-(dimethylamino)ethyl]-5-N-methyl-4-phenyl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-[2-(dimethylamino)ethyl]-5-N-methyl-4-phenyl-1,2-thiazole-3,5-diamine (CID 103381922) is 5-N-[2-(dimethylamino)ethyl]-5-N-methyl-4-phenyl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-[2-(dimethylamino)ethyl]-5-N-methyl-4-phenyl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-[2-(dimethylamino)ethyl]-5-N-methyl-4-phenyl-1,2-thiazole-3,5-diamine is CN(C)CCN(C)c1snc(N)c1-c1ccccc1.
What is the InChIKey of 5-N-[2-(dimethylamino)ethyl]-5-N-methyl-4-phenyl-1,2-thiazole-3,5-diamine?
The InChIKey is MZXFKFNSRKWAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4S/c1-17(2)9-10-18(3)14-12(13(15)16-19-14)11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H2,15,16).
What are the key properties of 5-N-[2-(dimethylamino)ethyl]-5-N-methyl-4-phenyl-1,2-thiazole-3,5-diamine?
5-N-[2-(dimethylamino)ethyl]-5-N-methyl-4-phenyl-1,2-thiazole-3,5-diamine has a molecular weight of 276.41 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[2-(dimethylamino)ethyl]-5-N-methyl-4-phenyl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103381922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).