N'-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methoxy]cyclopentanecarboximidamide

C17H18F3N3OS — CID 134028040

IUPACN'-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methoxy]cyclopentanecarboximidamide
SMILESN/C(=N\OCc1csc(-c2ccc(C(F)(F)F)cc2)n1)C1CCCC1
InChIInChI=1S/C17H18F3N3OS/c18-17(19,20)13-7-5-12(6-8-13)16-22-14(10-25-16)9-24-23-15(21)11-3-1-2-4-11/h5-8,10-11H,1-4,9H2,(H2,21,23)
InChIKeyDPOGTZUWQZHTFG-UHFFFAOYSA-N
MW369.41 g/mol
LogP4.81
Rot. Bonds5

About N'-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methoxy]cyclopentanecarboximidamide

N'-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methoxy]cyclopentanecarboximidamide (PubChem CID 134028040) has the molecular formula C17H18F3N3OS and a molecular weight of 369.41 g/mol. Its IUPAC name is N'-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methoxy]cyclopentanecarboximidamide.

Molecular Properties

Compound NameN'-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methoxy]cyclopentanecarboximidamide
PubChem CID134028040
Molecular FormulaC17H18F3N3OS
Molecular Weight369.41 g/mol
Exact Mass369.11
IUPAC NameN'-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methoxy]cyclopentanecarboximidamide
SMILESN/C(=N\OCc1csc(-c2ccc(C(F)(F)F)cc2)n1)C1CCCC1
InChIInChI=1S/C17H18F3N3OS/c18-17(19,20)13-7-5-12(6-8-13)16-22-14(10-25-16)9-24-23-15(21)11-3-1-2-4-11/h5-8,10-11H,1-4,9H2,(H2,21,23)
InChIKeyDPOGTZUWQZHTFG-UHFFFAOYSA-N
XLogP4.81
TPSA60.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.41
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-piperidin-1-yl-N'-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methoxy]pyridine-4-carboximidamide
CID 134007980
O-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]hydroxylamine
CID 67132095
N-cyclohexyl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 31700368
2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanamine;hydrochloride
CID 156593509
N-methyl-1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methanamine
CID 7164660
N-(2-methylcyclohexyl)-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 46516478
N-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 60716130
N-cycloheptyl-N-methyl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 55514013
3-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]propan-1-amine
CID 69235596
4-[[(R)-cyclopropylmethylsulfinyl]methyl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
CID 97228917
[2-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methoxy]phenyl]methanol
CID 78880752
N-methoxy-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 43054605

Frequently Asked Questions

What is the IUPAC name of N'-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methoxy]cyclopentanecarboximidamide?
The IUPAC name of N'-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methoxy]cyclopentanecarboximidamide (CID 134028040) is N'-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methoxy]cyclopentanecarboximidamide.
What is the SMILES notation for N'-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methoxy]cyclopentanecarboximidamide?
The canonical SMILES for N'-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methoxy]cyclopentanecarboximidamide is N/C(=N\OCc1csc(-c2ccc(C(F)(F)F)cc2)n1)C1CCCC1.
What is the InChIKey of N'-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methoxy]cyclopentanecarboximidamide?
The InChIKey is DPOGTZUWQZHTFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3OS/c18-17(19,20)13-7-5-12(6-8-13)16-22-14(10-25-16)9-24-23-15(21)11-3-1-2-4-11/h5-8,10-11H,1-4,9H2,(H2,21,23).
What are the key properties of N'-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methoxy]cyclopentanecarboximidamide?
N'-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methoxy]cyclopentanecarboximidamide has a molecular weight of 369.41 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methoxy]cyclopentanecarboximidamide is sourced from PubChem (CID 134028040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).