N-[[2-[4-(trifluoromethylsulfanyl)phenyl]-1,3-thiazol-5-yl]methyl]propan-1-amine

C14H15F3N2S2 — CID 61281957

IUPACN-[[2-[4-(trifluoromethylsulfanyl)phenyl]-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1cnc(-c2ccc(SC(F)(F)F)cc2)s1
InChIInChI=1S/C14H15F3N2S2/c1-2-7-18-8-12-9-19-13(20-12)10-3-5-11(6-4-10)21-14(15,16)17/h3-6,9,18H,2,7-8H2,1H3
InChIKeyUUGMVJPPPFFAOW-UHFFFAOYSA-N
MW332.42 g/mol
LogP4.92
Rot. Bonds6

About N-[[2-[4-(trifluoromethylsulfanyl)phenyl]-1,3-thiazol-5-yl]methyl]propan-1-amine

N-[[2-[4-(trifluoromethylsulfanyl)phenyl]-1,3-thiazol-5-yl]methyl]propan-1-amine (PubChem CID 61281957) has the molecular formula C14H15F3N2S2 and a molecular weight of 332.42 g/mol. Its IUPAC name is N-[[2-[4-(trifluoromethylsulfanyl)phenyl]-1,3-thiazol-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-[4-(trifluoromethylsulfanyl)phenyl]-1,3-thiazol-5-yl]methyl]propan-1-amine
PubChem CID61281957
Molecular FormulaC14H15F3N2S2
Molecular Weight332.42 g/mol
Exact Mass332.06
IUPAC NameN-[[2-[4-(trifluoromethylsulfanyl)phenyl]-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1cnc(-c2ccc(SC(F)(F)F)cc2)s1
InChIInChI=1S/C14H15F3N2S2/c1-2-7-18-8-12-9-19-13(20-12)10-3-5-11(6-4-10)21-14(15,16)17/h3-6,9,18H,2,7-8H2,1H3
InChIKeyUUGMVJPPPFFAOW-UHFFFAOYSA-N
XLogP4.92
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 54.92
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-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 65096062
N-propyl-5-[4-(trifluoromethylsulfanyl)phenyl]-1,3-thiazol-2-amine
CID 116812161
N-[[2-(2-bromophenyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 54979700
N-[[2-(furan-2-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 61282727
N-[[2-(4-propoxyphenyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 62495260
N-[[2-(2-methylpyrimidin-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 115528167
N-[[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 61281741
N-[[2-[(4-methylphenyl)methyl]-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 62329930
N-[[2-(6-methyl-3-pyridinyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 104823153
N-[[2-(3-methylphenyl)-1,3-thiazol-5-yl]methyl]butan-1-amine
CID 82422567
N-[[2-(3-fluorophenyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 61280364
3-[(2-phenyl-1,3-thiazol-5-yl)methylamino]propan-1-ol
CID 110879669

Frequently Asked Questions

What is the IUPAC name of N-[[2-[4-(trifluoromethylsulfanyl)phenyl]-1,3-thiazol-5-yl]methyl]propan-1-amine?
The IUPAC name of N-[[2-[4-(trifluoromethylsulfanyl)phenyl]-1,3-thiazol-5-yl]methyl]propan-1-amine (CID 61281957) is N-[[2-[4-(trifluoromethylsulfanyl)phenyl]-1,3-thiazol-5-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-[4-(trifluoromethylsulfanyl)phenyl]-1,3-thiazol-5-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-[4-(trifluoromethylsulfanyl)phenyl]-1,3-thiazol-5-yl]methyl]propan-1-amine is CCCNCc1cnc(-c2ccc(SC(F)(F)F)cc2)s1.
What is the InChIKey of N-[[2-[4-(trifluoromethylsulfanyl)phenyl]-1,3-thiazol-5-yl]methyl]propan-1-amine?
The InChIKey is UUGMVJPPPFFAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2S2/c1-2-7-18-8-12-9-19-13(20-12)10-3-5-11(6-4-10)21-14(15,16)17/h3-6,9,18H,2,7-8H2,1H3.
What are the key properties of N-[[2-[4-(trifluoromethylsulfanyl)phenyl]-1,3-thiazol-5-yl]methyl]propan-1-amine?
N-[[2-[4-(trifluoromethylsulfanyl)phenyl]-1,3-thiazol-5-yl]methyl]propan-1-amine has a molecular weight of 332.42 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[4-(trifluoromethylsulfanyl)phenyl]-1,3-thiazol-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 61281957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).