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

C16H21FN2OS — CID 62543454

IUPACN-[(2-fluorophenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine
SMILESCOCCNC(c1nc(C(C)C)cs1)c1ccccc1F
InChIInChI=1S/C16H21FN2OS/c1-11(2)14-10-21-16(19-14)15(18-8-9-20-3)12-6-4-5-7-13(12)17/h4-7,10-11,15,18H,8-9H2,1-3H3
InChIKeyMFMNGZXALHBLEB-UHFFFAOYSA-N
MW308.42 g/mol
LogP3.73
Rot. Bonds7

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

N-[(2-fluorophenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine (PubChem CID 62543454) has the molecular formula C16H21FN2OS and a molecular weight of 308.42 g/mol. Its IUPAC name is N-[(2-fluorophenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[(2-fluorophenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine
PubChem CID62543454
Molecular FormulaC16H21FN2OS
Molecular Weight308.42 g/mol
Exact Mass308.14
IUPAC NameN-[(2-fluorophenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine
SMILESCOCCNC(c1nc(C(C)C)cs1)c1ccccc1F
InChIInChI=1S/C16H21FN2OS/c1-11(2)14-10-21-16(19-14)15(18-8-9-20-3)12-6-4-5-7-13(12)17/h4-7,10-11,15,18H,8-9H2,1-3H3
InChIKeyMFMNGZXALHBLEB-UHFFFAOYSA-N
XLogP3.73
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-2-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)butan-1-amine
CID 62544276
N-[(5-chloro-2-fluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine
CID 114859249
N-[(2-bromophenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine
CID 61331430
3-methoxy-N-(2-methoxyethyl)-3-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)butan-1-amine
CID 106676122
N-[(4-bromo-2-fluorophenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine
CID 61331610
N-[(2,3-difluorophenyl)-(1,3-thiazol-2-yl)methyl]-2-methoxyethanamine
CID 63669287
N-[(2-chloro-6-fluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine
CID 62542277
2-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)-phenylmethyl]ethanamine
CID 62540339
N-[1-(2-fluorophenyl)ethyl]-3-methoxypropan-1-amine
CID 43205059
N-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)-1-[2-(trifluoromethyl)phenyl]methanamine
CID 61332142
N-[(2,5-dimethylphenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine
CID 62542109
1-(2-fluorophenyl)-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 105119293

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine?
The IUPAC name of N-[(2-fluorophenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine (CID 62543454) is N-[(2-fluorophenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[(2-fluorophenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine?
The canonical SMILES for N-[(2-fluorophenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine is COCCNC(c1nc(C(C)C)cs1)c1ccccc1F.
What is the InChIKey of N-[(2-fluorophenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine?
The InChIKey is MFMNGZXALHBLEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2OS/c1-11(2)14-10-21-16(19-14)15(18-8-9-20-3)12-6-4-5-7-13(12)17/h4-7,10-11,15,18H,8-9H2,1-3H3.
What are the key properties of N-[(2-fluorophenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine?
N-[(2-fluorophenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine has a molecular weight of 308.42 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine is sourced from PubChem (CID 62543454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).