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

C11H20N2OS — CID 4792445

IUPACN-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-propan-2-yloxypropan-1-amine
SMILESCc1nc(CNCCCOC(C)C)cs1
InChIInChI=1S/C11H20N2OS/c1-9(2)14-6-4-5-12-7-11-8-15-10(3)13-11/h8-9,12H,4-7H2,1-3H3
InChIKeyOUVDVBPXMNRSQY-UHFFFAOYSA-N
MW228.36 g/mol
LogP2.36
Rot. Bonds7

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

N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-propan-2-yloxypropan-1-amine (PubChem CID 4792445) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-propan-2-yloxypropan-1-amine.

Molecular Properties

Compound NameN-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-propan-2-yloxypropan-1-amine
PubChem CID4792445
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC NameN-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-propan-2-yloxypropan-1-amine
SMILESCc1nc(CNCCCOC(C)C)cs1
InChIInChI=1S/C11H20N2OS/c1-9(2)14-6-4-5-12-7-11-8-15-10(3)13-11/h8-9,12H,4-7H2,1-3H3
InChIKeyOUVDVBPXMNRSQY-UHFFFAOYSA-N
XLogP2.36
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 52.36
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]-3-propan-2-yloxypropan-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

Methyl[(2-methyl-1,3-thiazol-4-yl)methyl]amine
CID 18939489
1-(4-methylmorpholin-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 53551612
1-(4-cyclopropylmorpholin-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 53584391
1-{[2-(1-Ethoxyethyl)-1,3-thiazol-4-yl]methyl}piperazine
CID 54595740
1-{[2-(1-Methoxyethyl)-1,3-thiazol-4-yl]methyl}-1,4-diazepane
CID 71755634
1-{[2-(1-Methoxyethyl)-1,3-thiazol-4-yl]methyl}piperazine
CID 71755635
1-[[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]methyl]-N-propan-2-ylpiperidin-4-amine
CID 72008385
1-(4-ethylmorpholin-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 72043649
3-(4-Methyl-1,3-thiazol-2-yl)morpholine
CID 75355395
4-Methyl-2-[(pyrrolidin-3-yloxy)methyl]-1,3-thiazole
CID 80315379
{[2-(1-Ethoxyethyl)-1,3-thiazol-4-yl]methyl}(methyl)amine
CID 54595767
{[2-(1-Methoxyethyl)-1,3-thiazol-4-yl]methyl}(methyl)amine
CID 71755475

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-propan-2-yloxypropan-1-amine?
The IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-propan-2-yloxypropan-1-amine (CID 4792445) is N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-propan-2-yloxypropan-1-amine.
What is the SMILES notation for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-propan-2-yloxypropan-1-amine?
The canonical SMILES for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-propan-2-yloxypropan-1-amine is Cc1nc(CNCCCOC(C)C)cs1.
What is the InChIKey of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-propan-2-yloxypropan-1-amine?
The InChIKey is OUVDVBPXMNRSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-9(2)14-6-4-5-12-7-11-8-15-10(3)13-11/h8-9,12H,4-7H2,1-3H3.
What are the key properties of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-propan-2-yloxypropan-1-amine?
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-propan-2-yloxypropan-1-amine has a molecular weight of 228.36 g/mol, XLogP of 2.36, 7 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]-3-propan-2-yloxypropan-1-amine is sourced from PubChem (CID 4792445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).