N'-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-N,N-dimethyl-N'-propylethane-1,2-diamine

C12H24N4S — CID 65485637

IUPACN'-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
SMILESCCCN(CCc1csc(N)n1)CCN(C)C
InChIInChI=1S/C12H24N4S/c1-4-6-16(9-8-15(2)3)7-5-11-10-17-12(13)14-11/h10H,4-9H2,1-3H3,(H2,13,14)
InChIKeyVBXXELUQEDLHBL-UHFFFAOYSA-N
MW256.42 g/mol
LogP1.54
Rot. Bonds8

About N'-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-N,N-dimethyl-N'-propylethane-1,2-diamine

N'-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-N,N-dimethyl-N'-propylethane-1,2-diamine (PubChem CID 65485637) has the molecular formula C12H24N4S and a molecular weight of 256.42 g/mol. Its IUPAC name is N'-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-N,N-dimethyl-N'-propylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
PubChem CID65485637
Molecular FormulaC12H24N4S
Molecular Weight256.42 g/mol
Exact Mass256.17
IUPAC NameN'-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
SMILESCCCN(CCc1csc(N)n1)CCN(C)C
InChIInChI=1S/C12H24N4S/c1-4-6-16(9-8-15(2)3)7-5-11-10-17-12(13)14-11/h10H,4-9H2,1-3H3,(H2,13,14)
InChIKeyVBXXELUQEDLHBL-UHFFFAOYSA-N
XLogP1.54
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.42
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N'-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-N,N-dimethyl-N'-propylethane-1,2-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'-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-N,N-dimethyl-N'-propylethane-1,2-diamine?
The IUPAC name of N'-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-N,N-dimethyl-N'-propylethane-1,2-diamine (CID 65485637) is N'-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-N,N-dimethyl-N'-propylethane-1,2-diamine.
What is the SMILES notation for N'-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-N,N-dimethyl-N'-propylethane-1,2-diamine?
The canonical SMILES for N'-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-N,N-dimethyl-N'-propylethane-1,2-diamine is CCCN(CCc1csc(N)n1)CCN(C)C.
What is the InChIKey of N'-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-N,N-dimethyl-N'-propylethane-1,2-diamine?
The InChIKey is VBXXELUQEDLHBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4S/c1-4-6-16(9-8-15(2)3)7-5-11-10-17-12(13)14-11/h10H,4-9H2,1-3H3,(H2,13,14).
What are the key properties of N'-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-N,N-dimethyl-N'-propylethane-1,2-diamine?
N'-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-N,N-dimethyl-N'-propylethane-1,2-diamine has a molecular weight of 256.42 g/mol, XLogP of 1.54, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-N,N-dimethyl-N'-propylethane-1,2-diamine is sourced from PubChem (CID 65485637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).