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

C12H23N3S — CID 82103483

IUPACN',N'-dimethyl-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine
SMILESCC(C)c1csc(CCNCCN(C)C)n1
InChIInChI=1S/C12H23N3S/c1-10(2)11-9-16-12(14-11)5-6-13-7-8-15(3)4/h9-10,13H,5-8H2,1-4H3
InChIKeyHQNZEHFRHSZRDW-UHFFFAOYSA-N
MW241.40 g/mol
LogP1.96
Rot. Bonds7

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

N',N'-dimethyl-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine (PubChem CID 82103483) has the molecular formula C12H23N3S and a molecular weight of 241.40 g/mol. Its IUPAC name is N',N'-dimethyl-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine
PubChem CID82103483
Molecular FormulaC12H23N3S
Molecular Weight241.40 g/mol
Exact Mass241.16
IUPAC NameN',N'-dimethyl-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine
SMILESCC(C)c1csc(CCNCCN(C)C)n1
InChIInChI=1S/C12H23N3S/c1-10(2)11-9-16-12(14-11)5-6-13-7-8-15(3)4/h9-10,13H,5-8H2,1-4H3
InChIKeyHQNZEHFRHSZRDW-UHFFFAOYSA-N
XLogP1.96
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N',N'-dimethyl-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]ethane-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',N'-dimethyl-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine (CID 82103483) is N',N'-dimethyl-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine is CC(C)c1csc(CCNCCN(C)C)n1.
What is the InChIKey of N',N'-dimethyl-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine?
The InChIKey is HQNZEHFRHSZRDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3S/c1-10(2)11-9-16-12(14-11)5-6-13-7-8-15(3)4/h9-10,13H,5-8H2,1-4H3.
What are the key properties of N',N'-dimethyl-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine?
N',N'-dimethyl-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine has a molecular weight of 241.40 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 82103483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).