N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-propan-2-yloxyethanamine

C10H18N2OS — CID 61485001

IUPACN-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-propan-2-yloxyethanamine
SMILESCc1nc(CNCCOC(C)C)cs1
InChIInChI=1S/C10H18N2OS/c1-8(2)13-5-4-11-6-10-7-14-9(3)12-10/h7-8,11H,4-6H2,1-3H3
InChIKeyZAETYXBXROCBOA-UHFFFAOYSA-N
MW214.33 g/mol
LogP1.97
Rot. Bonds6

About N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-propan-2-yloxyethanamine

N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-propan-2-yloxyethanamine (PubChem CID 61485001) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-propan-2-yloxyethanamine.

Molecular Properties

Compound NameN-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-propan-2-yloxyethanamine
PubChem CID61485001
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC NameN-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-propan-2-yloxyethanamine
SMILESCc1nc(CNCCOC(C)C)cs1
InChIInChI=1S/C10H18N2OS/c1-8(2)13-5-4-11-6-10-7-14-9(3)12-10/h7-8,11H,4-6H2,1-3H3
InChIKeyZAETYXBXROCBOA-UHFFFAOYSA-N
XLogP1.97
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-propan-2-yloxyethanamine 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-(2-methyl-1,3-thiazol-4-yl)-N-(2-propan-2-yloxyethyl)ethanamine
CID 106045227
4-[(2-propan-2-yloxyethylamino)methyl]-1,3-thiazole-2-carboxylic acid
CID 103266532
2-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethyl carbamate
CID 83211307
2-[2-(dimethylamino)ethoxy]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 104931936
4-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methylamino]pentan-3-ol
CID 115654712
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-propoxypropan-1-amine
CID 82940582
2-[2-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethoxy]acetamide
CID 106235728
1-(1-methoxypropan-2-yloxy)-3-[(2-methyl-1,3-thiazol-4-yl)methylamino]propan-2-ol
CID 106989577
3-methyl-1-N-[(2-methyl-1,3-thiazol-4-yl)methyl]butane-1,3-diamine
CID 64677704
1-[(2-methyl-1,3-thiazol-4-yl)methylamino]butan-2-ol
CID 61285786
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 79261715
2-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methylamino]butan-2-ol
CID 79361912

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-propan-2-yloxyethanamine?
The IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-propan-2-yloxyethanamine (CID 61485001) is N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-propan-2-yloxyethanamine.
What is the SMILES notation for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-propan-2-yloxyethanamine?
The canonical SMILES for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-propan-2-yloxyethanamine is Cc1nc(CNCCOC(C)C)cs1.
What is the InChIKey of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-propan-2-yloxyethanamine?
The InChIKey is ZAETYXBXROCBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-8(2)13-5-4-11-6-10-7-14-9(3)12-10/h7-8,11H,4-6H2,1-3H3.
What are the key properties of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-propan-2-yloxyethanamine?
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-propan-2-yloxyethanamine has a molecular weight of 214.33 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-propan-2-yloxyethanamine is sourced from PubChem (CID 61485001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).