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

C14H17FN2S — CID 81278164

IUPACN-[[2-(4-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1csc(-c2ccc(F)cc2C)n1
InChIInChI=1S/C14H17FN2S/c1-3-6-16-8-12-9-18-14(17-12)13-5-4-11(15)7-10(13)2/h4-5,7,9,16H,3,6,8H2,1-2H3
InChIKeyDJCMZOCVAXMMTQ-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.76
Rot. Bonds5

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

N-[[2-(4-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]methyl]propan-1-amine (PubChem CID 81278164) has the molecular formula C14H17FN2S and a molecular weight of 264.37 g/mol. Its IUPAC name is N-[[2-(4-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(4-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]methyl]propan-1-amine
PubChem CID81278164
Molecular FormulaC14H17FN2S
Molecular Weight264.37 g/mol
Exact Mass264.11
IUPAC NameN-[[2-(4-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1csc(-c2ccc(F)cc2C)n1
InChIInChI=1S/C14H17FN2S/c1-3-6-16-8-12-9-18-14(17-12)13-5-4-11(15)7-10(13)2/h4-5,7,9,16H,3,6,8H2,1-2H3
InChIKeyDJCMZOCVAXMMTQ-UHFFFAOYSA-N
XLogP3.76
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 ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Methyl-4-phenyl-1,3-thiazole
CID 584377
3-(2-Methyl-thiazol-4-yl)-phenylamine
CID 736535
N-ethyl-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide
CID 2591198
2-Methyl-4-(4-aminophenyl)thiazole
CID 152684
2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N'-hydroxyethanimidamide
CID 9583366
2-(4-Phenyl-1,3-thiazol-2-yl)ethanethioamide
CID 724012
4-Phenyl-2-thiazoleethanamine
CID 1497794
4-(2,4-Dimethylphenyl)-2-methyl-1,3-thiazole
CID 2798044
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 3244200
1-Benzyl-4-(2-phenyl-thiazol-4-ylmethyl)-piperazine
CID 12050196
2-(4-Phenyl-thiazol-2-yl)-ethylamine hydrochloride
CID 16192921
N-tert-butyl-2-[[4-(4-fluorophenyl)-2-thiazolyl]thio]acetamide
CID 2503365

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(4-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]methyl]propan-1-amine (CID 81278164) is N-[[2-(4-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(4-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(4-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]methyl]propan-1-amine is CCCNCc1csc(-c2ccc(F)cc2C)n1.
What is the InChIKey of N-[[2-(4-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]methyl]propan-1-amine?
The InChIKey is DJCMZOCVAXMMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2S/c1-3-6-16-8-12-9-18-14(17-12)13-5-4-11(15)7-10(13)2/h4-5,7,9,16H,3,6,8H2,1-2H3.
What are the key properties of N-[[2-(4-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]methyl]propan-1-amine?
N-[[2-(4-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]methyl]propan-1-amine has a molecular weight of 264.37 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 81278164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).