N-[[4-[(3-chloro-4-fluorophenoxy)methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine

C15H18ClFN2OS — CID 63879023

IUPACN-[[4-[(3-chloro-4-fluorophenoxy)methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1nc(COc2ccc(F)c(Cl)c2)cs1
InChIInChI=1S/C15H18ClFN2OS/c1-15(2,3)18-7-14-19-10(9-21-14)8-20-11-4-5-13(17)12(16)6-11/h4-6,9,18H,7-8H2,1-3H3
InChIKeyPTYLADBBIQAMKS-UHFFFAOYSA-N
MW328.84 g/mol
LogP4.40
Rot. Bonds5

About N-[[4-[(3-chloro-4-fluorophenoxy)methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine

N-[[4-[(3-chloro-4-fluorophenoxy)methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine (PubChem CID 63879023) has the molecular formula C15H18ClFN2OS and a molecular weight of 328.84 g/mol. Its IUPAC name is N-[[4-[(3-chloro-4-fluorophenoxy)methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[4-[(3-chloro-4-fluorophenoxy)methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine
PubChem CID63879023
Molecular FormulaC15H18ClFN2OS
Molecular Weight328.84 g/mol
Exact Mass328.08
IUPAC NameN-[[4-[(3-chloro-4-fluorophenoxy)methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1nc(COc2ccc(F)c(Cl)c2)cs1
InChIInChI=1S/C15H18ClFN2OS/c1-15(2,3)18-7-14-19-10(9-21-14)8-20-11-4-5-13(17)12(16)6-11/h4-6,9,18H,7-8H2,1-3H3
InChIKeyPTYLADBBIQAMKS-UHFFFAOYSA-N
XLogP4.40
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[4-[(3-chloro-4-fluorophenoxy)methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-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

1-[4-[(3,4-dichlorophenoxy)methyl]-1,3-thiazol-2-yl]-N-methylmethanamine
CID 62485760
2-methyl-N-[[4-(phenoxymethyl)-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 62454477
N-[[4-[(5-bromo-2-fluorophenoxy)methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 114676838
1-[4-[[4-fluoro-3-(trifluoromethyl)phenoxy]methyl]-1,3-thiazol-2-yl]-N-methylmethanamine
CID 102747439
N-[[4-[(3-ethylphenoxy)methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 62450130
[4-[(3,4-dichlorophenoxy)methyl]-1,3-thiazol-2-yl]methanamine
CID 62484343
1-[4-[(3-chlorophenoxy)methyl]-1,3-thiazol-2-yl]-N-methylmethanamine
CID 55076708
2-ethyl-4-[(4-fluoro-3-methylphenoxy)methyl]-1,3-thiazole
CID 81422379
N-[[4-[(2-chlorophenyl)methoxymethyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 62444364
1-(tert-butylamino)-3-(3-chloro-4-fluorophenoxy)propan-2-ol
CID 115476132
N-[[4-(2,2-difluoroethoxymethyl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine
CID 82006022
3-chloro-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-fluoroaniline
CID 115280365

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(3-chloro-4-fluorophenoxy)methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[4-[(3-chloro-4-fluorophenoxy)methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine (CID 63879023) is N-[[4-[(3-chloro-4-fluorophenoxy)methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[4-[(3-chloro-4-fluorophenoxy)methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[4-[(3-chloro-4-fluorophenoxy)methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1nc(COc2ccc(F)c(Cl)c2)cs1.
What is the InChIKey of N-[[4-[(3-chloro-4-fluorophenoxy)methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is PTYLADBBIQAMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClFN2OS/c1-15(2,3)18-7-14-19-10(9-21-14)8-20-11-4-5-13(17)12(16)6-11/h4-6,9,18H,7-8H2,1-3H3.
What are the key properties of N-[[4-[(3-chloro-4-fluorophenoxy)methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine?
N-[[4-[(3-chloro-4-fluorophenoxy)methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 328.84 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(3-chloro-4-fluorophenoxy)methyl]-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 63879023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).