N-methyl-1-(oxolan-3-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine

C10H13F3N2OS — CID 106783321

IUPACN-methyl-1-(oxolan-3-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
SMILESCNC(c1cnc(C(F)(F)F)s1)C1CCOC1
InChIInChI=1S/C10H13F3N2OS/c1-14-8(6-2-3-16-5-6)7-4-15-9(17-7)10(11,12)13/h4,6,8,14H,2-3,5H2,1H3
InChIKeyVHSMQIKVRFRTSI-UHFFFAOYSA-N
MW266.29 g/mol
LogP2.46
Rot. Bonds3

About N-methyl-1-(oxolan-3-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine

N-methyl-1-(oxolan-3-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine (PubChem CID 106783321) has the molecular formula C10H13F3N2OS and a molecular weight of 266.29 g/mol. Its IUPAC name is N-methyl-1-(oxolan-3-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-(oxolan-3-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
PubChem CID106783321
Molecular FormulaC10H13F3N2OS
Molecular Weight266.29 g/mol
Exact Mass266.07
IUPAC NameN-methyl-1-(oxolan-3-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
SMILESCNC(c1cnc(C(F)(F)F)s1)C1CCOC1
InChIInChI=1S/C10H13F3N2OS/c1-14-8(6-2-3-16-5-6)7-4-15-9(17-7)10(11,12)13/h4,6,8,14H,2-3,5H2,1H3
InChIKeyVHSMQIKVRFRTSI-UHFFFAOYSA-N
XLogP2.46
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(oxolan-3-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of N-methyl-1-(oxolan-3-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine (CID 106783321) is N-methyl-1-(oxolan-3-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for N-methyl-1-(oxolan-3-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for N-methyl-1-(oxolan-3-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine is CNC(c1cnc(C(F)(F)F)s1)C1CCOC1.
What is the InChIKey of N-methyl-1-(oxolan-3-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is VHSMQIKVRFRTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2OS/c1-14-8(6-2-3-16-5-6)7-4-15-9(17-7)10(11,12)13/h4,6,8,14H,2-3,5H2,1H3.
What are the key properties of N-methyl-1-(oxolan-3-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
N-methyl-1-(oxolan-3-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 266.29 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(oxolan-3-yl)-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 106783321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).