N-[[2-[2-(2,2-difluoroethoxy)ethyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine

C14H24F2N2O2S — CID 103150644

IUPACN-[[2-[2-(2,2-difluoroethoxy)ethyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
SMILESCOCc1nc(CCOCC(F)F)sc1CNC(C)(C)C
InChIInChI=1S/C14H24F2N2O2S/c1-14(2,3)17-7-11-10(8-19-4)18-13(21-11)5-6-20-9-12(15)16/h12,17H,5-9H2,1-4H3
InChIKeyFKEGZZMVZGMTPG-UHFFFAOYSA-N
MW322.42 g/mol
LogP3.00
Rot. Bonds9

About N-[[2-[2-(2,2-difluoroethoxy)ethyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine

N-[[2-[2-(2,2-difluoroethoxy)ethyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine (PubChem CID 103150644) has the molecular formula C14H24F2N2O2S and a molecular weight of 322.42 g/mol. Its IUPAC name is N-[[2-[2-(2,2-difluoroethoxy)ethyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-[2-(2,2-difluoroethoxy)ethyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
PubChem CID103150644
Molecular FormulaC14H24F2N2O2S
Molecular Weight322.42 g/mol
Exact Mass322.15
IUPAC NameN-[[2-[2-(2,2-difluoroethoxy)ethyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
SMILESCOCc1nc(CCOCC(F)F)sc1CNC(C)(C)C
InChIInChI=1S/C14H24F2N2O2S/c1-14(2,3)17-7-11-10(8-19-4)18-13(21-11)5-6-20-9-12(15)16/h12,17H,5-9H2,1-4H3
InChIKeyFKEGZZMVZGMTPG-UHFFFAOYSA-N
XLogP3.00
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 N-[[2-[2-(2,2-difluoroethoxy)ethyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-[2-(2,2-difluoroethoxy)ethyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine (CID 103150644) is N-[[2-[2-(2,2-difluoroethoxy)ethyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-[2-(2,2-difluoroethoxy)ethyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-[2-(2,2-difluoroethoxy)ethyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine is COCc1nc(CCOCC(F)F)sc1CNC(C)(C)C.
What is the InChIKey of N-[[2-[2-(2,2-difluoroethoxy)ethyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is FKEGZZMVZGMTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F2N2O2S/c1-14(2,3)17-7-11-10(8-19-4)18-13(21-11)5-6-20-9-12(15)16/h12,17H,5-9H2,1-4H3.
What are the key properties of N-[[2-[2-(2,2-difluoroethoxy)ethyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
N-[[2-[2-(2,2-difluoroethoxy)ethyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 322.42 g/mol, XLogP of 3.00, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-(2,2-difluoroethoxy)ethyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 103150644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).