5-(1,4-oxazepan-4-ylmethyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine

C10H14F3N3OS — CID 143926102

IUPAC5-(1,4-oxazepan-4-ylmethyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESNc1nc(C(F)(F)F)c(CN2CCCOCC2)s1
InChIInChI=1S/C10H14F3N3OS/c11-10(12,13)8-7(18-9(14)15-8)6-16-2-1-4-17-5-3-16/h1-6H2,(H2,14,15)
InChIKeyJNFYTKWXXNWSBL-UHFFFAOYSA-N
MW281.30 g/mol
LogP1.97
Rot. Bonds2

About 5-(1,4-oxazepan-4-ylmethyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine

5-(1,4-oxazepan-4-ylmethyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine (PubChem CID 143926102) has the molecular formula C10H14F3N3OS and a molecular weight of 281.30 g/mol. Its IUPAC name is 5-(1,4-oxazepan-4-ylmethyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(1,4-oxazepan-4-ylmethyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine
PubChem CID143926102
Molecular FormulaC10H14F3N3OS
Molecular Weight281.30 g/mol
Exact Mass281.08
IUPAC Name5-(1,4-oxazepan-4-ylmethyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESNc1nc(C(F)(F)F)c(CN2CCCOCC2)s1
InChIInChI=1S/C10H14F3N3OS/c11-10(12,13)8-7(18-9(14)15-8)6-16-2-1-4-17-5-3-16/h1-6H2,(H2,14,15)
InChIKeyJNFYTKWXXNWSBL-UHFFFAOYSA-N
XLogP1.97
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.30
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1,4-oxazepan-4-ylmethyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-(1,4-oxazepan-4-ylmethyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine (CID 143926102) is 5-(1,4-oxazepan-4-ylmethyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(1,4-oxazepan-4-ylmethyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-(1,4-oxazepan-4-ylmethyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine is Nc1nc(C(F)(F)F)c(CN2CCCOCC2)s1.
What is the InChIKey of 5-(1,4-oxazepan-4-ylmethyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The InChIKey is JNFYTKWXXNWSBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3OS/c11-10(12,13)8-7(18-9(14)15-8)6-16-2-1-4-17-5-3-16/h1-6H2,(H2,14,15).
What are the key properties of 5-(1,4-oxazepan-4-ylmethyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine?
5-(1,4-oxazepan-4-ylmethyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine has a molecular weight of 281.30 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,4-oxazepan-4-ylmethyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 143926102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).