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

C18H21F3N2OS — CID 78838836

IUPAC3-(cyclopropylmethoxy)-N-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]propan-1-amine
SMILESFC(F)(F)c1ccc(-c2nc(CNCCCOCC3CC3)cs2)cc1
InChIInChI=1S/C18H21F3N2OS/c19-18(20,21)15-6-4-14(5-7-15)17-23-16(12-25-17)10-22-8-1-9-24-11-13-2-3-13/h4-7,12-13,22H,1-3,8-11H2
InChIKeyBLNSOPWNPVSYBU-UHFFFAOYSA-N
MW370.44 g/mol
LogP4.74
Rot. Bonds9

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

3-(cyclopropylmethoxy)-N-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]propan-1-amine (PubChem CID 78838836) has the molecular formula C18H21F3N2OS and a molecular weight of 370.44 g/mol. Its IUPAC name is 3-(cyclopropylmethoxy)-N-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name3-(cyclopropylmethoxy)-N-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]propan-1-amine
PubChem CID78838836
Molecular FormulaC18H21F3N2OS
Molecular Weight370.44 g/mol
Exact Mass370.13
IUPAC Name3-(cyclopropylmethoxy)-N-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]propan-1-amine
SMILESFC(F)(F)c1ccc(-c2nc(CNCCCOCC3CC3)cs2)cc1
InChIInChI=1S/C18H21F3N2OS/c19-18(20,21)15-6-4-14(5-7-15)17-23-16(12-25-17)10-22-8-1-9-24-11-13-2-3-13/h4-7,12-13,22H,1-3,8-11H2
InChIKeyBLNSOPWNPVSYBU-UHFFFAOYSA-N
XLogP4.74
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.44
LogP ≤ 54.74
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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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethoxy)-N-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]propan-1-amine?
The IUPAC name of 3-(cyclopropylmethoxy)-N-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]propan-1-amine (CID 78838836) is 3-(cyclopropylmethoxy)-N-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for 3-(cyclopropylmethoxy)-N-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for 3-(cyclopropylmethoxy)-N-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]propan-1-amine is FC(F)(F)c1ccc(-c2nc(CNCCCOCC3CC3)cs2)cc1.
What is the InChIKey of 3-(cyclopropylmethoxy)-N-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]propan-1-amine?
The InChIKey is BLNSOPWNPVSYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N2OS/c19-18(20,21)15-6-4-14(5-7-15)17-23-16(12-25-17)10-22-8-1-9-24-11-13-2-3-13/h4-7,12-13,22H,1-3,8-11H2.
What are the key properties of 3-(cyclopropylmethoxy)-N-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]propan-1-amine?
3-(cyclopropylmethoxy)-N-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]propan-1-amine has a molecular weight of 370.44 g/mol, XLogP of 4.74, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethoxy)-N-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 78838836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).