N,N-diethyl-1-phenyl-N'-(1,3-thiazol-2-yl)ethane-1,2-diamine

C15H21N3S — CID 43080477

IUPACN,N-diethyl-1-phenyl-N'-(1,3-thiazol-2-yl)ethane-1,2-diamine
SMILESCCN(CC)C(CNc1nccs1)c1ccccc1
InChIInChI=1S/C15H21N3S/c1-3-18(4-2)14(13-8-6-5-7-9-13)12-17-15-16-10-11-19-15/h5-11,14H,3-4,12H2,1-2H3,(H,16,17)
InChIKeyKTICYOUIUYCZAJ-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.64
Rot. Bonds7

About N,N-diethyl-1-phenyl-N'-(1,3-thiazol-2-yl)ethane-1,2-diamine

N,N-diethyl-1-phenyl-N'-(1,3-thiazol-2-yl)ethane-1,2-diamine (PubChem CID 43080477) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is N,N-diethyl-1-phenyl-N'-(1,3-thiazol-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N-diethyl-1-phenyl-N'-(1,3-thiazol-2-yl)ethane-1,2-diamine
PubChem CID43080477
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC NameN,N-diethyl-1-phenyl-N'-(1,3-thiazol-2-yl)ethane-1,2-diamine
SMILESCCN(CC)C(CNc1nccs1)c1ccccc1
InChIInChI=1S/C15H21N3S/c1-3-18(4-2)14(13-8-6-5-7-9-13)12-17-15-16-10-11-19-15/h5-11,14H,3-4,12H2,1-2H3,(H,16,17)
InChIKeyKTICYOUIUYCZAJ-UHFFFAOYSA-N
XLogP3.64
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-phenyl-N'-(1,3-thiazol-2-yl)ethane-1,2-diamine?
The IUPAC name of N,N-diethyl-1-phenyl-N'-(1,3-thiazol-2-yl)ethane-1,2-diamine (CID 43080477) is N,N-diethyl-1-phenyl-N'-(1,3-thiazol-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N,N-diethyl-1-phenyl-N'-(1,3-thiazol-2-yl)ethane-1,2-diamine?
The canonical SMILES for N,N-diethyl-1-phenyl-N'-(1,3-thiazol-2-yl)ethane-1,2-diamine is CCN(CC)C(CNc1nccs1)c1ccccc1.
What is the InChIKey of N,N-diethyl-1-phenyl-N'-(1,3-thiazol-2-yl)ethane-1,2-diamine?
The InChIKey is KTICYOUIUYCZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-3-18(4-2)14(13-8-6-5-7-9-13)12-17-15-16-10-11-19-15/h5-11,14H,3-4,12H2,1-2H3,(H,16,17).
What are the key properties of N,N-diethyl-1-phenyl-N'-(1,3-thiazol-2-yl)ethane-1,2-diamine?
N,N-diethyl-1-phenyl-N'-(1,3-thiazol-2-yl)ethane-1,2-diamine has a molecular weight of 275.42 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-phenyl-N'-(1,3-thiazol-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 43080477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).