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

C14H24F2N2OS — CID 103150617

IUPACN-[[2-[2-(2,2-difluoroethoxy)ethyl]-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1sc(CCOCC(F)F)nc1CCC
InChIInChI=1S/C14H24F2N2OS/c1-3-5-11-12(9-17-7-4-2)20-14(18-11)6-8-19-10-13(15)16/h13,17H,3-10H2,1-2H3
InChIKeyOJSVSQFRWVZJFO-UHFFFAOYSA-N
MW306.42 g/mol
LogP3.42
Rot. Bonds11

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

N-[[2-[2-(2,2-difluoroethoxy)ethyl]-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine (PubChem CID 103150617) has the molecular formula C14H24F2N2OS and a molecular weight of 306.42 g/mol. Its IUPAC name is N-[[2-[2-(2,2-difluoroethoxy)ethyl]-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-[2-(2,2-difluoroethoxy)ethyl]-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine
PubChem CID103150617
Molecular FormulaC14H24F2N2OS
Molecular Weight306.42 g/mol
Exact Mass306.16
IUPAC NameN-[[2-[2-(2,2-difluoroethoxy)ethyl]-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1sc(CCOCC(F)F)nc1CCC
InChIInChI=1S/C14H24F2N2OS/c1-3-5-11-12(9-17-7-4-2)20-14(18-11)6-8-19-10-13(15)16/h13,17H,3-10H2,1-2H3
InChIKeyOJSVSQFRWVZJFO-UHFFFAOYSA-N
XLogP3.42
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.42
LogP ≤ 53.42
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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Related Compounds

N-[[2-[2-(2,2-difluoroethoxy)ethyl]-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine
CID 103150626
N-[[2-[2-(2,2-difluoroethoxy)ethyl]-4-ethyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 103150582
N-[[2-(methoxymethyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82432837
N-[[2-[2-(diethylamino)ethyl]-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82433104
N-[(2,4-dipropyl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine
CID 82431543
N-[[2-[2-(2,2-difluoroethoxy)ethyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 103150641
N-[[2-[(dimethylamino)methyl]-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82432874
N-[(2-ethyl-4-propyl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine
CID 82431279
1-[2-[2-(2,2-difluoroethoxy)ethyl]-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 103150624
N-[[2-[2-(2,2-difluoroethoxy)ethyl]-4,6-dimethylpyrimidin-5-yl]methyl]propan-1-amine
CID 103150814
N-[[2-(3-methoxypropyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114368915
N-[(4-ethyl-2-propyl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine
CID 82428482

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-(2,2-difluoroethoxy)ethyl]-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine?
The IUPAC name of N-[[2-[2-(2,2-difluoroethoxy)ethyl]-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine (CID 103150617) is N-[[2-[2-(2,2-difluoroethoxy)ethyl]-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-[2-(2,2-difluoroethoxy)ethyl]-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-[2-(2,2-difluoroethoxy)ethyl]-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine is CCCNCc1sc(CCOCC(F)F)nc1CCC.
What is the InChIKey of N-[[2-[2-(2,2-difluoroethoxy)ethyl]-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine?
The InChIKey is OJSVSQFRWVZJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F2N2OS/c1-3-5-11-12(9-17-7-4-2)20-14(18-11)6-8-19-10-13(15)16/h13,17H,3-10H2,1-2H3.
What are the key properties of N-[[2-[2-(2,2-difluoroethoxy)ethyl]-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine?
N-[[2-[2-(2,2-difluoroethoxy)ethyl]-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine has a molecular weight of 306.42 g/mol, XLogP of 3.42, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-(2,2-difluoroethoxy)ethyl]-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 103150617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).