1-(oxan-3-yl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]methanamine

C14H18N2OS2 — CID 119114246

IUPAC1-(oxan-3-yl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]methanamine
SMILESc1csc(-c2nc(CNCC3CCCOC3)cs2)c1
InChIInChI=1S/C14H18N2OS2/c1-3-11(9-17-5-1)7-15-8-12-10-19-14(16-12)13-4-2-6-18-13/h2,4,6,10-11,15H,1,3,5,7-9H2
InChIKeySLDOFJZGEHHUCK-UHFFFAOYSA-N
MW294.44 g/mol
LogP3.39
Rot. Bonds5

About 1-(oxan-3-yl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]methanamine

1-(oxan-3-yl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]methanamine (PubChem CID 119114246) has the molecular formula C14H18N2OS2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 1-(oxan-3-yl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(oxan-3-yl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]methanamine
PubChem CID119114246
Molecular FormulaC14H18N2OS2
Molecular Weight294.44 g/mol
Exact Mass294.09
IUPAC Name1-(oxan-3-yl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]methanamine
SMILESc1csc(-c2nc(CNCC3CCCOC3)cs2)c1
InChIInChI=1S/C14H18N2OS2/c1-3-11(9-17-5-1)7-15-8-12-10-19-14(16-12)13-4-2-6-18-13/h2,4,6,10-11,15H,1,3,5,7-9H2
InChIKeySLDOFJZGEHHUCK-UHFFFAOYSA-N
XLogP3.39
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(oxan-3-yl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]methanamine 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-tert-butyl-1,3-thiazol-4-yl)methyl]-1-(oxan-3-yl)methanamine
CID 115592245
N-[[2-(3-nitrophenyl)-1,3-thiazol-4-yl]methyl]-1-(oxan-3-yl)methanamine
CID 119129671
N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-1-(oxan-3-yl)methanamine
CID 119129675
1-[(2R)-4-cyclopropylmorpholin-2-yl]-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]methanamine
CID 95342692
3-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]propanoic acid
CID 120913165
N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]cyclohexanecarboxamide
CID 2738811
2-(oxan-3-ylmethylamino)-1-thiophen-2-ylethanol
CID 61020491
3-methyl-1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]butan-2-ol
CID 111421916
2-methoxy-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]ethanamine
CID 82515813
2-(2-methyl-1,3-thiazol-4-yl)-N-(oxan-3-ylmethyl)ethanamine
CID 103920413
2-chloro-N-(oxan-3-ylmethyl)-1,3-thiazol-4-amine
CID 130686313
N-[(3,4-dichlorophenyl)methyl]-1-(oxan-3-yl)methanamine
CID 54906440

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-3-yl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(oxan-3-yl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]methanamine (CID 119114246) is 1-(oxan-3-yl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(oxan-3-yl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(oxan-3-yl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]methanamine is c1csc(-c2nc(CNCC3CCCOC3)cs2)c1.
What is the InChIKey of 1-(oxan-3-yl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]methanamine?
The InChIKey is SLDOFJZGEHHUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS2/c1-3-11(9-17-5-1)7-15-8-12-10-19-14(16-12)13-4-2-6-18-13/h2,4,6,10-11,15H,1,3,5,7-9H2.
What are the key properties of 1-(oxan-3-yl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]methanamine?
1-(oxan-3-yl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]methanamine has a molecular weight of 294.44 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-3-yl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]methanamine is sourced from PubChem (CID 119114246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).