N-propyl-5-[[2-(trifluoromethyl)phenoxy]methyl]-1,3-thiazol-2-amine

C14H15F3N2OS — CID 79761299

IUPACN-propyl-5-[[2-(trifluoromethyl)phenoxy]methyl]-1,3-thiazol-2-amine
SMILESCCCNc1ncc(COc2ccccc2C(F)(F)F)s1
InChIInChI=1S/C14H15F3N2OS/c1-2-7-18-13-19-8-10(21-13)9-20-12-6-4-3-5-11(12)14(15,16)17/h3-6,8H,2,7,9H2,1H3,(H,18,19)
InChIKeyBIWAAKJWASGZKI-UHFFFAOYSA-N
MW316.35 g/mol
LogP4.56
Rot. Bonds6

About N-propyl-5-[[2-(trifluoromethyl)phenoxy]methyl]-1,3-thiazol-2-amine

N-propyl-5-[[2-(trifluoromethyl)phenoxy]methyl]-1,3-thiazol-2-amine (PubChem CID 79761299) has the molecular formula C14H15F3N2OS and a molecular weight of 316.35 g/mol. Its IUPAC name is N-propyl-5-[[2-(trifluoromethyl)phenoxy]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-propyl-5-[[2-(trifluoromethyl)phenoxy]methyl]-1,3-thiazol-2-amine
PubChem CID79761299
Molecular FormulaC14H15F3N2OS
Molecular Weight316.35 g/mol
Exact Mass316.09
IUPAC NameN-propyl-5-[[2-(trifluoromethyl)phenoxy]methyl]-1,3-thiazol-2-amine
SMILESCCCNc1ncc(COc2ccccc2C(F)(F)F)s1
InChIInChI=1S/C14H15F3N2OS/c1-2-7-18-13-19-8-10(21-13)9-20-12-6-4-3-5-11(12)14(15,16)17/h3-6,8H,2,7,9H2,1H3,(H,18,19)
InChIKeyBIWAAKJWASGZKI-UHFFFAOYSA-N
XLogP4.56
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-Methoxyphenyl)methyl]-1,3-thiazol-2-amine
CID 3133052
Thiourea, N-(2-(2-methoxyphenyl)ethyl)-N'-2-thiazolyl-
CID 3001083
Thiourea, N-(2-(2-fluoro-6-methoxyphenyl)ethyl)-N'-2-thiazolyl-
CID 3001091
Thiourea, N-(2-(2-ethoxy-6-fluorophenyl)ethyl)-N'-2-thiazolyl-
CID 3001092
5-(4-Methoxyphenyl)-1,3-thiazol-2-amine
CID 679467
US10913733, Example 42
CID 137361278
5-(4-Propoxyphenyl)thiazol-2-amine
CID 2215607
1-(2-(4-(2-(Trifluoromethyl)phenoxy)piperidin-1-yl)thiazol-5-yl)urea
CID 46880802
4-(3-cyanophenoxy)-N-[5-(trifluoromethyl)thiazol-2-yl]butanamide
CID 155543987
N-[5-(4-fluorobenzyl)-1,3-thiazol-2-yl]-2-(2-methylphenoxy)acetamide
CID 1143610
4-(3-methylphenoxy)-N-(5-methylthiazol-2-yl)butanamide
CID 8919483
4-phenoxy-N-[5-(trifluoromethyl)thiazol-2-yl]butanamide
CID 145420152

Frequently Asked Questions

What is the IUPAC name of N-propyl-5-[[2-(trifluoromethyl)phenoxy]methyl]-1,3-thiazol-2-amine?
The IUPAC name of N-propyl-5-[[2-(trifluoromethyl)phenoxy]methyl]-1,3-thiazol-2-amine (CID 79761299) is N-propyl-5-[[2-(trifluoromethyl)phenoxy]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-propyl-5-[[2-(trifluoromethyl)phenoxy]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-propyl-5-[[2-(trifluoromethyl)phenoxy]methyl]-1,3-thiazol-2-amine is CCCNc1ncc(COc2ccccc2C(F)(F)F)s1.
What is the InChIKey of N-propyl-5-[[2-(trifluoromethyl)phenoxy]methyl]-1,3-thiazol-2-amine?
The InChIKey is BIWAAKJWASGZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2OS/c1-2-7-18-13-19-8-10(21-13)9-20-12-6-4-3-5-11(12)14(15,16)17/h3-6,8H,2,7,9H2,1H3,(H,18,19).
What are the key properties of N-propyl-5-[[2-(trifluoromethyl)phenoxy]methyl]-1,3-thiazol-2-amine?
N-propyl-5-[[2-(trifluoromethyl)phenoxy]methyl]-1,3-thiazol-2-amine has a molecular weight of 316.35 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-5-[[2-(trifluoromethyl)phenoxy]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 79761299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).