N-[(3-fluoro-4-methylphenyl)-(1,3-thiazol-4-yl)methyl]propan-1-amine

C14H17FN2S — CID 107129043

IUPACN-[(3-fluoro-4-methylphenyl)-(1,3-thiazol-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(C)c(F)c1)c1cscn1
InChIInChI=1S/C14H17FN2S/c1-3-6-16-14(13-8-18-9-17-13)11-5-4-10(2)12(15)7-11/h4-5,7-9,14,16H,3,6H2,1-2H3
InChIKeyANKZGXQSYZZDGP-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.68
Rot. Bonds5

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

N-[(3-fluoro-4-methylphenyl)-(1,3-thiazol-4-yl)methyl]propan-1-amine (PubChem CID 107129043) has the molecular formula C14H17FN2S and a molecular weight of 264.37 g/mol. Its IUPAC name is N-[(3-fluoro-4-methylphenyl)-(1,3-thiazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-fluoro-4-methylphenyl)-(1,3-thiazol-4-yl)methyl]propan-1-amine
PubChem CID107129043
Molecular FormulaC14H17FN2S
Molecular Weight264.37 g/mol
Exact Mass264.11
IUPAC NameN-[(3-fluoro-4-methylphenyl)-(1,3-thiazol-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(C)c(F)c1)c1cscn1
InChIInChI=1S/C14H17FN2S/c1-3-6-16-14(13-8-18-9-17-13)11-5-4-10(2)12(15)7-11/h4-5,7-9,14,16H,3,6H2,1-2H3
InChIKeyANKZGXQSYZZDGP-UHFFFAOYSA-N
XLogP3.68
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methylquinolin-6-yl)-(1,3-thiazol-4-yl)methyl]propan-1-amine
CID 81229898
N-[(3-fluoro-4-methylphenyl)-(5-methylpyrazin-2-yl)methyl]propan-1-amine
CID 107130264
N-[(2,5-dimethylphenyl)-(1,3-thiazol-4-yl)methyl]propan-1-amine
CID 78923898
N-[(3-fluoro-4-methylphenyl)-(4-fluorophenyl)methyl]propan-1-amine
CID 43494693
N-[(3-fluoro-4-methylphenyl)-(4-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 63413566
N-[(3,4-dichlorophenyl)-(3-fluoro-4-methylphenyl)methyl]propan-1-amine
CID 43497580
N-[1-(3-fluoro-4-methylphenyl)ethyl]propan-1-amine
CID 60820092
N-[(5-methylfuran-2-yl)-(1,3-thiazol-4-yl)methyl]propan-1-amine
CID 114990272
N-[(3,5-dichlorophenyl)-(3-fluoro-4-methylphenyl)methyl]propan-1-amine
CID 107130464
N-[(3-fluoro-4-methylphenyl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 66270988
N-[(4-bromo-3-chlorophenyl)-(3-fluoro-4-methylphenyl)methyl]propan-1-amine
CID 107130155
N-[2-(3,4-difluorophenyl)-1-(1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 82922563

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methylphenyl)-(1,3-thiazol-4-yl)methyl]propan-1-amine?
The IUPAC name of N-[(3-fluoro-4-methylphenyl)-(1,3-thiazol-4-yl)methyl]propan-1-amine (CID 107129043) is N-[(3-fluoro-4-methylphenyl)-(1,3-thiazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-fluoro-4-methylphenyl)-(1,3-thiazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-fluoro-4-methylphenyl)-(1,3-thiazol-4-yl)methyl]propan-1-amine is CCCNC(c1ccc(C)c(F)c1)c1cscn1.
What is the InChIKey of N-[(3-fluoro-4-methylphenyl)-(1,3-thiazol-4-yl)methyl]propan-1-amine?
The InChIKey is ANKZGXQSYZZDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2S/c1-3-6-16-14(13-8-18-9-17-13)11-5-4-10(2)12(15)7-11/h4-5,7-9,14,16H,3,6H2,1-2H3.
What are the key properties of N-[(3-fluoro-4-methylphenyl)-(1,3-thiazol-4-yl)methyl]propan-1-amine?
N-[(3-fluoro-4-methylphenyl)-(1,3-thiazol-4-yl)methyl]propan-1-amine has a molecular weight of 264.37 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-methylphenyl)-(1,3-thiazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 107129043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).