N-ethyl-N'-[2-(1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine

C9H17N3S — CID 63240886

IUPACN-ethyl-N'-[2-(1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine
SMILESCCNCCNCCc1nccs1
InChIInChI=1S/C9H17N3S/c1-2-10-5-6-11-4-3-9-12-7-8-13-9/h7-8,10-11H,2-6H2,1H3
InChIKeyVLEXHHBDIUZYSE-UHFFFAOYSA-N
MW199.32 g/mol
LogP0.88
Rot. Bonds7

About N-ethyl-N'-[2-(1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine

N-ethyl-N'-[2-(1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine (PubChem CID 63240886) has the molecular formula C9H17N3S and a molecular weight of 199.32 g/mol. Its IUPAC name is N-ethyl-N'-[2-(1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN-ethyl-N'-[2-(1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine
PubChem CID63240886
Molecular FormulaC9H17N3S
Molecular Weight199.32 g/mol
Exact Mass199.11
IUPAC NameN-ethyl-N'-[2-(1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine
SMILESCCNCCNCCc1nccs1
InChIInChI=1S/C9H17N3S/c1-2-10-5-6-11-4-3-9-12-7-8-13-9/h7-8,10-11H,2-6H2,1H3
InChIKeyVLEXHHBDIUZYSE-UHFFFAOYSA-N
XLogP0.88
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-propyl-3-(1,3-thiazol-2-yl)propan-1-amine
CID 79823745
N'-cyclopentyl-N-[2-(1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine
CID 63240568
2-(4-methoxyphenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]ethanamine
CID 82102654
N-[3-[2-(1,3-thiazol-2-yl)ethylamino]propyl]acetamide
CID 82102676
N-iodo-2-(1,3-thiazol-2-yl)ethanamine
CID 137452216
5-(ethylaminomethyl)-N-[2-(1,3-thiazol-2-yl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106961014
2-methyl-N-[3-(1,3-thiazol-2-yl)propyl]propan-2-amine
CID 79823969
6-N-ethyl-5-propyl-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine
CID 80827666
N-[2-(1,3-thiazol-2-yl)ethyl]propane-1-sulfonamide
CID 49460028
N-ethyl-4-[[2-(1,3-thiazol-2-yl)ethylamino]methyl]oxolan-3-amine
CID 66259347
N-[2-[4-(aminomethyl)triazol-1-yl]ethyl]-2-(1,3-thiazol-2-yl)ethanamine
CID 113314274
2,6-dimethyl-4-[[2-(1,3-thiazol-2-yl)ethylamino]methyl]phenol
CID 55175219

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[2-(1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine?
The IUPAC name of N-ethyl-N'-[2-(1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine (CID 63240886) is N-ethyl-N'-[2-(1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N-ethyl-N'-[2-(1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine?
The canonical SMILES for N-ethyl-N'-[2-(1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine is CCNCCNCCc1nccs1.
What is the InChIKey of N-ethyl-N'-[2-(1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine?
The InChIKey is VLEXHHBDIUZYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3S/c1-2-10-5-6-11-4-3-9-12-7-8-13-9/h7-8,10-11H,2-6H2,1H3.
What are the key properties of N-ethyl-N'-[2-(1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine?
N-ethyl-N'-[2-(1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine has a molecular weight of 199.32 g/mol, XLogP of 0.88, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[2-(1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 63240886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).