2-[5-(aminomethyl)-4-propan-2-yl-1,3-thiazol-2-yl]-N,N-dimethylethanamine

C11H21N3S — CID 82435380

IUPAC2-[5-(aminomethyl)-4-propan-2-yl-1,3-thiazol-2-yl]-N,N-dimethylethanamine
SMILESCC(C)c1nc(CCN(C)C)sc1CN
InChIInChI=1S/C11H21N3S/c1-8(2)11-9(7-12)15-10(13-11)5-6-14(3)4/h8H,5-7,12H2,1-4H3
InChIKeyXEPOZKRXGNQPIE-UHFFFAOYSA-N
MW227.38 g/mol
LogP1.83
Rot. Bonds5

About 2-[5-(aminomethyl)-4-propan-2-yl-1,3-thiazol-2-yl]-N,N-dimethylethanamine

2-[5-(aminomethyl)-4-propan-2-yl-1,3-thiazol-2-yl]-N,N-dimethylethanamine (PubChem CID 82435380) has the molecular formula C11H21N3S and a molecular weight of 227.38 g/mol. Its IUPAC name is 2-[5-(aminomethyl)-4-propan-2-yl-1,3-thiazol-2-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[5-(aminomethyl)-4-propan-2-yl-1,3-thiazol-2-yl]-N,N-dimethylethanamine
PubChem CID82435380
Molecular FormulaC11H21N3S
Molecular Weight227.38 g/mol
Exact Mass227.15
IUPAC Name2-[5-(aminomethyl)-4-propan-2-yl-1,3-thiazol-2-yl]-N,N-dimethylethanamine
SMILESCC(C)c1nc(CCN(C)C)sc1CN
InChIInChI=1S/C11H21N3S/c1-8(2)11-9(7-12)15-10(13-11)5-6-14(3)4/h8H,5-7,12H2,1-4H3
InChIKeyXEPOZKRXGNQPIE-UHFFFAOYSA-N
XLogP1.83
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.38
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[5-(aminomethyl)-4-propan-2-yl-1,3-thiazol-2-yl]-N,N-dimethylethanamine 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

2-[5-[(2-methoxyethylamino)methyl]-4-propan-2-yl-1,3-thiazol-2-yl]-N,N-dimethylethanamine
CID 82435372
[2-[2-(4-fluorophenoxy)ethyl]-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
CID 82434838
[4-propan-2-yl-2-(propylsulfanylmethyl)-1,3-thiazol-5-yl]methanamine
CID 82434459
5-[2-[2-(dimethylamino)ethyl]-4-propan-2-yl-1,3-thiazol-5-yl]-1,2-dihydro-1,2,4-triazole-3-thione
CID 82435383
[2-[(3,5-dimethylphenyl)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
CID 114361429
2-N-[5-(aminomethyl)-4-propan-2-yl-1,3-thiazol-2-yl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103191924
1-[2-[(dimethylamino)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82435165
2-[2-[2-(diethylamino)ethyl]-4-propan-2-yl-1,3-thiazol-5-yl]acetic acid
CID 82435403
5-(aminomethyl)-N-ethyl-N,4-di(propan-2-yl)-1,3-thiazol-2-amine
CID 79396248
[2-[(2-chlorophenyl)sulfanylmethyl]-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
CID 114361556
[2-[(2-methoxyphenyl)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
CID 82433800
[2-(benzenesulfonylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
CID 82434343

Frequently Asked Questions

What is the IUPAC name of 2-[5-(aminomethyl)-4-propan-2-yl-1,3-thiazol-2-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[5-(aminomethyl)-4-propan-2-yl-1,3-thiazol-2-yl]-N,N-dimethylethanamine (CID 82435380) is 2-[5-(aminomethyl)-4-propan-2-yl-1,3-thiazol-2-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[5-(aminomethyl)-4-propan-2-yl-1,3-thiazol-2-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[5-(aminomethyl)-4-propan-2-yl-1,3-thiazol-2-yl]-N,N-dimethylethanamine is CC(C)c1nc(CCN(C)C)sc1CN.
What is the InChIKey of 2-[5-(aminomethyl)-4-propan-2-yl-1,3-thiazol-2-yl]-N,N-dimethylethanamine?
The InChIKey is XEPOZKRXGNQPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3S/c1-8(2)11-9(7-12)15-10(13-11)5-6-14(3)4/h8H,5-7,12H2,1-4H3.
What are the key properties of 2-[5-(aminomethyl)-4-propan-2-yl-1,3-thiazol-2-yl]-N,N-dimethylethanamine?
2-[5-(aminomethyl)-4-propan-2-yl-1,3-thiazol-2-yl]-N,N-dimethylethanamine has a molecular weight of 227.38 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(aminomethyl)-4-propan-2-yl-1,3-thiazol-2-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 82435380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).