N,N,2,2-tetramethyl-N'-[1-(1,3-thiazol-5-yl)ethyl]propane-1,3-diamine

C12H23N3S — CID 115704509

IUPACN,N,2,2-tetramethyl-N'-[1-(1,3-thiazol-5-yl)ethyl]propane-1,3-diamine
SMILESCC(NCC(C)(C)CN(C)C)c1cncs1
InChIInChI=1S/C12H23N3S/c1-10(11-6-13-9-16-11)14-7-12(2,3)8-15(4)5/h6,9-10,14H,7-8H2,1-5H3
InChIKeyXXNIXNSTBGBIQC-UHFFFAOYSA-N
MW241.40 g/mol
LogP2.38
Rot. Bonds6

About N,N,2,2-tetramethyl-N'-[1-(1,3-thiazol-5-yl)ethyl]propane-1,3-diamine

N,N,2,2-tetramethyl-N'-[1-(1,3-thiazol-5-yl)ethyl]propane-1,3-diamine (PubChem CID 115704509) has the molecular formula C12H23N3S and a molecular weight of 241.40 g/mol. Its IUPAC name is N,N,2,2-tetramethyl-N'-[1-(1,3-thiazol-5-yl)ethyl]propane-1,3-diamine.

Molecular Properties

Compound NameN,N,2,2-tetramethyl-N'-[1-(1,3-thiazol-5-yl)ethyl]propane-1,3-diamine
PubChem CID115704509
Molecular FormulaC12H23N3S
Molecular Weight241.40 g/mol
Exact Mass241.16
IUPAC NameN,N,2,2-tetramethyl-N'-[1-(1,3-thiazol-5-yl)ethyl]propane-1,3-diamine
SMILESCC(NCC(C)(C)CN(C)C)c1cncs1
InChIInChI=1S/C12H23N3S/c1-10(11-6-13-9-16-11)14-7-12(2,3)8-15(4)5/h6,9-10,14H,7-8H2,1-5H3
InChIKeyXXNIXNSTBGBIQC-UHFFFAOYSA-N
XLogP2.38
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N,N,2,2-tetramethyl-N'-[1-(1,3-thiazol-5-yl)ethyl]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

Related Compounds

3-[[1-(1,3-thiazol-5-yl)ethylamino]methyl]pentan-3-ol
CID 115714735
1-(dimethylamino)-3-[1-(1,3-thiazol-5-yl)ethylamino]propan-2-ol
CID 115718069
N-(2-methylsulfanylethyl)-1-(1,3-thiazol-5-yl)ethanamine
CID 115706170
2-methylsulfanyl-N-[1-(1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 115895637
5,5,5-trifluoro-N-[1-(1,3-thiazol-5-yl)ethyl]pentan-1-amine
CID 115895753
tert-butyl N-[3-[[1-(1,3-thiazol-5-yl)ethylamino]methyl]pentan-3-yl]carbamate
CID 103787700
2,2-dimethyl-N-[1-(1,3-thiazol-5-yl)ethyl]pentan-3-amine
CID 115717805
N'-(dithiophen-2-ylmethyl)-N,N,2,2-tetramethylpropane-1,3-diamine
CID 43758923
N,N-diethyl-2-[1-(1,3-thiazol-5-yl)ethylamino]acetamide
CID 115712604
3-propan-2-yloxy-N-[1-(1,3-thiazol-5-yl)ethyl]propan-1-amine
CID 115706255
N-[(4-ethylphenyl)methyl]-1-(1,3-thiazol-5-yl)ethanamine
CID 103779588
N-[2-[1-(1,3-thiazol-5-yl)ethylamino]ethyl]methanesulfonamide
CID 115713369

Frequently Asked Questions

What is the IUPAC name of N,N,2,2-tetramethyl-N'-[1-(1,3-thiazol-5-yl)ethyl]propane-1,3-diamine?
The IUPAC name of N,N,2,2-tetramethyl-N'-[1-(1,3-thiazol-5-yl)ethyl]propane-1,3-diamine (CID 115704509) is N,N,2,2-tetramethyl-N'-[1-(1,3-thiazol-5-yl)ethyl]propane-1,3-diamine.
What is the SMILES notation for N,N,2,2-tetramethyl-N'-[1-(1,3-thiazol-5-yl)ethyl]propane-1,3-diamine?
The canonical SMILES for N,N,2,2-tetramethyl-N'-[1-(1,3-thiazol-5-yl)ethyl]propane-1,3-diamine is CC(NCC(C)(C)CN(C)C)c1cncs1.
What is the InChIKey of N,N,2,2-tetramethyl-N'-[1-(1,3-thiazol-5-yl)ethyl]propane-1,3-diamine?
The InChIKey is XXNIXNSTBGBIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3S/c1-10(11-6-13-9-16-11)14-7-12(2,3)8-15(4)5/h6,9-10,14H,7-8H2,1-5H3.
What are the key properties of N,N,2,2-tetramethyl-N'-[1-(1,3-thiazol-5-yl)ethyl]propane-1,3-diamine?
N,N,2,2-tetramethyl-N'-[1-(1,3-thiazol-5-yl)ethyl]propane-1,3-diamine has a molecular weight of 241.40 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2,2-tetramethyl-N'-[1-(1,3-thiazol-5-yl)ethyl]propane-1,3-diamine is sourced from PubChem (CID 115704509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).