N',N'-diethyl-N-(4-ethyl-1,3-thiazol-2-yl)propane-1,3-diamine

C12H23N3S — CID 62963177

IUPACN',N'-diethyl-N-(4-ethyl-1,3-thiazol-2-yl)propane-1,3-diamine
SMILESCCc1csc(NCCCN(CC)CC)n1
InChIInChI=1S/C12H23N3S/c1-4-11-10-16-12(14-11)13-8-7-9-15(5-2)6-3/h10H,4-9H2,1-3H3,(H,13,14)
InChIKeyNJOFGSIYDMGXDM-UHFFFAOYSA-N
MW241.40 g/mol
LogP2.85
Rot. Bonds8

About N',N'-diethyl-N-(4-ethyl-1,3-thiazol-2-yl)propane-1,3-diamine

N',N'-diethyl-N-(4-ethyl-1,3-thiazol-2-yl)propane-1,3-diamine (PubChem CID 62963177) has the molecular formula C12H23N3S and a molecular weight of 241.40 g/mol. Its IUPAC name is N',N'-diethyl-N-(4-ethyl-1,3-thiazol-2-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-(4-ethyl-1,3-thiazol-2-yl)propane-1,3-diamine
PubChem CID62963177
Molecular FormulaC12H23N3S
Molecular Weight241.40 g/mol
Exact Mass241.16
IUPAC NameN',N'-diethyl-N-(4-ethyl-1,3-thiazol-2-yl)propane-1,3-diamine
SMILESCCc1csc(NCCCN(CC)CC)n1
InChIInChI=1S/C12H23N3S/c1-4-11-10-16-12(14-11)13-8-7-9-15(5-2)6-3/h10H,4-9H2,1-3H3,(H,13,14)
InChIKeyNJOFGSIYDMGXDM-UHFFFAOYSA-N
XLogP2.85
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N',N'-diethyl-N-(4-ethyl-1,3-thiazol-2-yl)propane-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-(4-ethyl-1,3-thiazol-2-yl)propane-1,3-diamine?
The IUPAC name of N',N'-diethyl-N-(4-ethyl-1,3-thiazol-2-yl)propane-1,3-diamine (CID 62963177) is N',N'-diethyl-N-(4-ethyl-1,3-thiazol-2-yl)propane-1,3-diamine.
What is the SMILES notation for N',N'-diethyl-N-(4-ethyl-1,3-thiazol-2-yl)propane-1,3-diamine?
The canonical SMILES for N',N'-diethyl-N-(4-ethyl-1,3-thiazol-2-yl)propane-1,3-diamine is CCc1csc(NCCCN(CC)CC)n1.
What is the InChIKey of N',N'-diethyl-N-(4-ethyl-1,3-thiazol-2-yl)propane-1,3-diamine?
The InChIKey is NJOFGSIYDMGXDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3S/c1-4-11-10-16-12(14-11)13-8-7-9-15(5-2)6-3/h10H,4-9H2,1-3H3,(H,13,14).
What are the key properties of N',N'-diethyl-N-(4-ethyl-1,3-thiazol-2-yl)propane-1,3-diamine?
N',N'-diethyl-N-(4-ethyl-1,3-thiazol-2-yl)propane-1,3-diamine has a molecular weight of 241.40 g/mol, XLogP of 2.85, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-(4-ethyl-1,3-thiazol-2-yl)propane-1,3-diamine is sourced from PubChem (CID 62963177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).