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

C13H13F3N2S2 — CID 116812161

IUPACN-propyl-5-[4-(trifluoromethylsulfanyl)phenyl]-1,3-thiazol-2-amine
SMILESCCCNc1ncc(-c2ccc(SC(F)(F)F)cc2)s1
InChIInChI=1S/C13H13F3N2S2/c1-2-7-17-12-18-8-11(19-12)9-3-5-10(6-4-9)20-13(14,15)16/h3-6,8H,2,7H2,1H3,(H,17,18)
InChIKeyHRAZRCVDZRKLIV-UHFFFAOYSA-N
MW318.39 g/mol
LogP5.24
Rot. Bonds5

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

N-propyl-5-[4-(trifluoromethylsulfanyl)phenyl]-1,3-thiazol-2-amine (PubChem CID 116812161) has the molecular formula C13H13F3N2S2 and a molecular weight of 318.39 g/mol. Its IUPAC name is N-propyl-5-[4-(trifluoromethylsulfanyl)phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-propyl-5-[4-(trifluoromethylsulfanyl)phenyl]-1,3-thiazol-2-amine
PubChem CID116812161
Molecular FormulaC13H13F3N2S2
Molecular Weight318.39 g/mol
Exact Mass318.05
IUPAC NameN-propyl-5-[4-(trifluoromethylsulfanyl)phenyl]-1,3-thiazol-2-amine
SMILESCCCNc1ncc(-c2ccc(SC(F)(F)F)cc2)s1
InChIInChI=1S/C13H13F3N2S2/c1-2-7-17-12-18-8-11(19-12)9-3-5-10(6-4-9)20-13(14,15)16/h3-6,8H,2,7H2,1H3,(H,17,18)
InChIKeyHRAZRCVDZRKLIV-UHFFFAOYSA-N
XLogP5.24
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.39
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-(difluoromethoxy)phenyl]-N-propyl-1,3-thiazol-2-amine
CID 116812196
5-(3-methylphenyl)-N-propyl-1,3-thiazol-2-amine
CID 116812125
5-[3-fluoro-5-(trifluoromethyl)phenyl]-N-propyl-1,3-thiazol-2-amine
CID 116812134
N-[[2-[4-(trifluoromethylsulfanyl)phenyl]-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 61281957
2-methyl-5-[4-(trifluoromethylsulfanyl)phenyl]thiophene
CID 122547721
5-(2-ethoxyphenyl)-N-propyl-1,3-thiazol-2-amine
CID 116812124
5-[(4-tert-butylphenyl)sulfanylmethyl]-N-propyl-1,3-thiazol-2-amine
CID 79760535
N-(2-methoxyethyl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 116812397
N-ethyl-5-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 116811972
5-(5-bromo-2-fluorophenyl)-N-propyl-1,3-thiazol-2-amine
CID 116812191
5-(4-methylphenyl)-N-(2-methylpropyl)-1,3-thiazol-2-amine
CID 116812351
2-[(5-phenyl-1,3-thiazol-2-yl)amino]ethanol
CID 133381734

Frequently Asked Questions

What is the IUPAC name of N-propyl-5-[4-(trifluoromethylsulfanyl)phenyl]-1,3-thiazol-2-amine?
The IUPAC name of N-propyl-5-[4-(trifluoromethylsulfanyl)phenyl]-1,3-thiazol-2-amine (CID 116812161) is N-propyl-5-[4-(trifluoromethylsulfanyl)phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-propyl-5-[4-(trifluoromethylsulfanyl)phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-propyl-5-[4-(trifluoromethylsulfanyl)phenyl]-1,3-thiazol-2-amine is CCCNc1ncc(-c2ccc(SC(F)(F)F)cc2)s1.
What is the InChIKey of N-propyl-5-[4-(trifluoromethylsulfanyl)phenyl]-1,3-thiazol-2-amine?
The InChIKey is HRAZRCVDZRKLIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2S2/c1-2-7-17-12-18-8-11(19-12)9-3-5-10(6-4-9)20-13(14,15)16/h3-6,8H,2,7H2,1H3,(H,17,18).
What are the key properties of N-propyl-5-[4-(trifluoromethylsulfanyl)phenyl]-1,3-thiazol-2-amine?
N-propyl-5-[4-(trifluoromethylsulfanyl)phenyl]-1,3-thiazol-2-amine has a molecular weight of 318.39 g/mol, XLogP of 5.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-5-[4-(trifluoromethylsulfanyl)phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 116812161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).