N-[[2-(diethylaminomethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine

C13H25N3S — CID 82424642

IUPACN-[[2-(diethylaminomethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
SMILESCCN(CC)Cc1ncc(CNCC(C)C)s1
InChIInChI=1S/C13H25N3S/c1-5-16(6-2)10-13-15-9-12(17-13)8-14-7-11(3)4/h9,11,14H,5-8,10H2,1-4H3
InChIKeyUCCWOJNKJWUKRP-UHFFFAOYSA-N
MW255.43 g/mol
LogP2.73
Rot. Bonds8

About N-[[2-(diethylaminomethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine

N-[[2-(diethylaminomethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine (PubChem CID 82424642) has the molecular formula C13H25N3S and a molecular weight of 255.43 g/mol. Its IUPAC name is N-[[2-(diethylaminomethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(diethylaminomethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
PubChem CID82424642
Molecular FormulaC13H25N3S
Molecular Weight255.43 g/mol
Exact Mass255.18
IUPAC NameN-[[2-(diethylaminomethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
SMILESCCN(CC)Cc1ncc(CNCC(C)C)s1
InChIInChI=1S/C13H25N3S/c1-5-16(6-2)10-13-15-9-12(17-13)8-14-7-11(3)4/h9,11,14H,5-8,10H2,1-4H3
InChIKeyUCCWOJNKJWUKRP-UHFFFAOYSA-N
XLogP2.73
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.43
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[2-(diethylaminomethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine 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

N-[[2-(diethylaminomethyl)-1,3-thiazol-5-yl]methyl]butan-2-amine
CID 82424643
N-[(2-butyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine
CID 79412381
2-methyl-N-[[2-(propoxymethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 62402711
N-ethyl-5-[(2-methylpropylamino)methyl]-N-propan-2-yl-1,3-thiazol-2-amine
CID 55112531
2-methyl-N-[[2-(4-propan-2-ylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 103503613
N-[(2-bromo-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine
CID 86691018
N-[[2-(tert-butylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 65138412
N,N-dimethyl-1-[5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-yl]pyrrolidin-3-amine
CID 63168205
N-[(2-butan-2-yl-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine
CID 63717618
N-cyclopropyl-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
CID 62752283
N-[[2-[(4-fluorophenyl)methyl]-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 62404813
2-methyl-N-[[2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82425017

Frequently Asked Questions

What is the IUPAC name of N-[[2-(diethylaminomethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-(diethylaminomethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine (CID 82424642) is N-[[2-(diethylaminomethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-(diethylaminomethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-(diethylaminomethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine is CCN(CC)Cc1ncc(CNCC(C)C)s1.
What is the InChIKey of N-[[2-(diethylaminomethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is UCCWOJNKJWUKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3S/c1-5-16(6-2)10-13-15-9-12(17-13)8-14-7-11(3)4/h9,11,14H,5-8,10H2,1-4H3.
What are the key properties of N-[[2-(diethylaminomethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine?
N-[[2-(diethylaminomethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 255.43 g/mol, XLogP of 2.73, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(diethylaminomethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 82424642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).