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

C13H22F2N2OS — CID 103150562

IUPACN-[[2-[2-(2,2-difluoroethoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
SMILESCc1nc(CCOCC(F)F)sc1CNC(C)(C)C
InChIInChI=1S/C13H22F2N2OS/c1-9-10(7-16-13(2,3)4)19-12(17-9)5-6-18-8-11(14)15/h11,16H,5-8H2,1-4H3
InChIKeyNVPIJHZAUKONDD-UHFFFAOYSA-N
MW292.39 g/mol
LogP3.16
Rot. Bonds7

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

N-[[2-[2-(2,2-difluoroethoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine (PubChem CID 103150562) has the molecular formula C13H22F2N2OS and a molecular weight of 292.39 g/mol. Its IUPAC name is N-[[2-[2-(2,2-difluoroethoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-[2-(2,2-difluoroethoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
PubChem CID103150562
Molecular FormulaC13H22F2N2OS
Molecular Weight292.39 g/mol
Exact Mass292.14
IUPAC NameN-[[2-[2-(2,2-difluoroethoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
SMILESCc1nc(CCOCC(F)F)sc1CNC(C)(C)C
InChIInChI=1S/C13H22F2N2OS/c1-9-10(7-16-13(2,3)4)19-12(17-9)5-6-18-8-11(14)15/h11,16H,5-8H2,1-4H3
InChIKeyNVPIJHZAUKONDD-UHFFFAOYSA-N
XLogP3.16
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 53.16
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

(3S)-N-[(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methyl]oxolan-3-amine
CID 125438175
N-methyl-N-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-1-[(3R)-oxolan-3-yl]methanamine
CID 164642780
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 61490310
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 61491347
N-[[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 62402337
N-[[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 62402519
N-methyl-1-[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methanamine
CID 62402853
N-[[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 62403377
N-[[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 62403925
2-methyl-N-[[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 62404281
2-methyl-N-[[4-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 62404464
1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 63827653

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-(2,2-difluoroethoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-[2-(2,2-difluoroethoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine (CID 103150562) is N-[[2-[2-(2,2-difluoroethoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-[2-(2,2-difluoroethoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-[2-(2,2-difluoroethoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine is Cc1nc(CCOCC(F)F)sc1CNC(C)(C)C.
What is the InChIKey of N-[[2-[2-(2,2-difluoroethoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is NVPIJHZAUKONDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F2N2OS/c1-9-10(7-16-13(2,3)4)19-12(17-9)5-6-18-8-11(14)15/h11,16H,5-8H2,1-4H3.
What are the key properties of N-[[2-[2-(2,2-difluoroethoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
N-[[2-[2-(2,2-difluoroethoxy)ethyl]-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 292.39 g/mol, XLogP of 3.16, 7 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-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 103150562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).