N'-[2-(diethylamino)ethyl]-N,N-diethyl-N'-[(5-methyl-1,2-thiazol-3-yl)methyl]ethane-1,2-diamine

C17H34N4S — CID 154722302

IUPACN'-[2-(diethylamino)ethyl]-N,N-diethyl-N'-[(5-methyl-1,2-thiazol-3-yl)methyl]ethane-1,2-diamine
SMILESCCN(CC)CCN(CCN(CC)CC)Cc1cc(C)sn1
InChIInChI=1S/C17H34N4S/c1-6-19(7-2)10-12-21(13-11-20(8-3)9-4)15-17-14-16(5)22-18-17/h14H,6-13,15H2,1-5H3
InChIKeyVYTLPJIVCRLZPS-UHFFFAOYSA-N
MW326.55 g/mol
LogP2.94
Rot. Bonds12

About N'-[2-(diethylamino)ethyl]-N,N-diethyl-N'-[(5-methyl-1,2-thiazol-3-yl)methyl]ethane-1,2-diamine

N'-[2-(diethylamino)ethyl]-N,N-diethyl-N'-[(5-methyl-1,2-thiazol-3-yl)methyl]ethane-1,2-diamine (PubChem CID 154722302) has the molecular formula C17H34N4S and a molecular weight of 326.55 g/mol. Its IUPAC name is N'-[2-(diethylamino)ethyl]-N,N-diethyl-N'-[(5-methyl-1,2-thiazol-3-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(diethylamino)ethyl]-N,N-diethyl-N'-[(5-methyl-1,2-thiazol-3-yl)methyl]ethane-1,2-diamine
PubChem CID154722302
Molecular FormulaC17H34N4S
Molecular Weight326.55 g/mol
Exact Mass326.25
IUPAC NameN'-[2-(diethylamino)ethyl]-N,N-diethyl-N'-[(5-methyl-1,2-thiazol-3-yl)methyl]ethane-1,2-diamine
SMILESCCN(CC)CCN(CCN(CC)CC)Cc1cc(C)sn1
InChIInChI=1S/C17H34N4S/c1-6-19(7-2)10-12-21(13-11-20(8-3)9-4)15-17-14-16(5)22-18-17/h14H,6-13,15H2,1-5H3
InChIKeyVYTLPJIVCRLZPS-UHFFFAOYSA-N
XLogP2.94
TPSA22.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.55
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N'-[2-(diethylamino)ethyl]-N,N-diethyl-N'-[(5-methyl-1,2-thiazol-3-yl)methyl]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'-[2-(diethylamino)ethyl]-N,N-diethyl-N'-[(5-methyl-1,2-thiazol-3-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-[2-(diethylamino)ethyl]-N,N-diethyl-N'-[(5-methyl-1,2-thiazol-3-yl)methyl]ethane-1,2-diamine (CID 154722302) is N'-[2-(diethylamino)ethyl]-N,N-diethyl-N'-[(5-methyl-1,2-thiazol-3-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-(diethylamino)ethyl]-N,N-diethyl-N'-[(5-methyl-1,2-thiazol-3-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-(diethylamino)ethyl]-N,N-diethyl-N'-[(5-methyl-1,2-thiazol-3-yl)methyl]ethane-1,2-diamine is CCN(CC)CCN(CCN(CC)CC)Cc1cc(C)sn1.
What is the InChIKey of N'-[2-(diethylamino)ethyl]-N,N-diethyl-N'-[(5-methyl-1,2-thiazol-3-yl)methyl]ethane-1,2-diamine?
The InChIKey is VYTLPJIVCRLZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N4S/c1-6-19(7-2)10-12-21(13-11-20(8-3)9-4)15-17-14-16(5)22-18-17/h14H,6-13,15H2,1-5H3.
What are the key properties of N'-[2-(diethylamino)ethyl]-N,N-diethyl-N'-[(5-methyl-1,2-thiazol-3-yl)methyl]ethane-1,2-diamine?
N'-[2-(diethylamino)ethyl]-N,N-diethyl-N'-[(5-methyl-1,2-thiazol-3-yl)methyl]ethane-1,2-diamine has a molecular weight of 326.55 g/mol, XLogP of 2.94, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(diethylamino)ethyl]-N,N-diethyl-N'-[(5-methyl-1,2-thiazol-3-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 154722302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).