N',N'-diethyl-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)ethane-1,2-diamine

C10H21N3S — CID 43439610

IUPACN',N'-diethyl-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)ethane-1,2-diamine
SMILESCCN(CC)CCNC1=NCC(C)S1
InChIInChI=1S/C10H21N3S/c1-4-13(5-2)7-6-11-10-12-8-9(3)14-10/h9H,4-8H2,1-3H3,(H,11,12)
InChIKeyQSGHCXZWNACEPX-UHFFFAOYSA-N
MW215.37 g/mol
LogP1.41
Rot. Bonds5

About N',N'-diethyl-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)ethane-1,2-diamine

N',N'-diethyl-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)ethane-1,2-diamine (PubChem CID 43439610) has the molecular formula C10H21N3S and a molecular weight of 215.37 g/mol. Its IUPAC name is N',N'-diethyl-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)ethane-1,2-diamine
PubChem CID43439610
Molecular FormulaC10H21N3S
Molecular Weight215.37 g/mol
Exact Mass215.15
IUPAC NameN',N'-diethyl-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)ethane-1,2-diamine
SMILESCCN(CC)CCNC1=NCC(C)S1
InChIInChI=1S/C10H21N3S/c1-4-13(5-2)7-6-11-10-12-8-9(3)14-10/h9H,4-8H2,1-3H3,(H,11,12)
InChIKeyQSGHCXZWNACEPX-UHFFFAOYSA-N
XLogP1.41
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.37
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)ethane-1,2-diamine?
The IUPAC name of N',N'-diethyl-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)ethane-1,2-diamine (CID 43439610) is N',N'-diethyl-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N',N'-diethyl-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)ethane-1,2-diamine?
The canonical SMILES for N',N'-diethyl-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)ethane-1,2-diamine is CCN(CC)CCNC1=NCC(C)S1.
What is the InChIKey of N',N'-diethyl-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)ethane-1,2-diamine?
The InChIKey is QSGHCXZWNACEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3S/c1-4-13(5-2)7-6-11-10-12-8-9(3)14-10/h9H,4-8H2,1-3H3,(H,11,12).
What are the key properties of N',N'-diethyl-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)ethane-1,2-diamine?
N',N'-diethyl-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)ethane-1,2-diamine has a molecular weight of 215.37 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 43439610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).