N-[2-(2,2-difluoroethoxy)ethyl]-4-ethyl-1,3-thiazol-2-amine

C9H14F2N2OS — CID 103081678

IUPACN-[2-(2,2-difluoroethoxy)ethyl]-4-ethyl-1,3-thiazol-2-amine
SMILESCCc1csc(NCCOCC(F)F)n1
InChIInChI=1S/C9H14F2N2OS/c1-2-7-6-15-9(13-7)12-3-4-14-5-8(10)11/h6,8H,2-5H2,1H3,(H,12,13)
InChIKeyIKPNIELKFWVEQK-UHFFFAOYSA-N
MW236.29 g/mol
LogP2.40
Rot. Bonds7

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

N-[2-(2,2-difluoroethoxy)ethyl]-4-ethyl-1,3-thiazol-2-amine (PubChem CID 103081678) has the molecular formula C9H14F2N2OS and a molecular weight of 236.29 g/mol. Its IUPAC name is N-[2-(2,2-difluoroethoxy)ethyl]-4-ethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[2-(2,2-difluoroethoxy)ethyl]-4-ethyl-1,3-thiazol-2-amine
PubChem CID103081678
Molecular FormulaC9H14F2N2OS
Molecular Weight236.29 g/mol
Exact Mass236.08
IUPAC NameN-[2-(2,2-difluoroethoxy)ethyl]-4-ethyl-1,3-thiazol-2-amine
SMILESCCc1csc(NCCOCC(F)F)n1
InChIInChI=1S/C9H14F2N2OS/c1-2-7-6-15-9(13-7)12-3-4-14-5-8(10)11/h6,8H,2-5H2,1H3,(H,12,13)
InChIKeyIKPNIELKFWVEQK-UHFFFAOYSA-N
XLogP2.40
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 52.40
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-difluoroethoxy)ethyl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 103081419
4-[(4-ethyl-1,3-thiazol-2-yl)amino]butan-1-ol
CID 106842633
6-[(4-ethyl-1,3-thiazol-2-yl)amino]hexan-1-ol
CID 103918134
4-ethyl-N-[(E)-pent-3-enyl]-1,3-thiazol-2-amine
CID 115691846
methyl 2-[2-(2-butoxyethylamino)-1,3-thiazol-4-yl]acetate
CID 80575758
N',N'-diethyl-N-(4-ethyl-1,3-thiazol-2-yl)propane-1,3-diamine
CID 62963177
1-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]-N-methylmethanamine
CID 103150152
2-[2-[[4-(2-aminoethyl)-1,3-thiazol-2-yl]amino]ethoxy]ethanol
CID 84761983
3-[(4-ethyl-1,3-thiazol-2-yl)amino]-N-methylpropanamide
CID 62962639
N-[2-(2,2-difluoroethoxy)ethyl]pyrimidin-2-amine
CID 103081300
N-ethyl-2-[(4-ethyl-1,3-thiazol-2-yl)amino]ethanesulfonamide
CID 106338122
N-[2-(2,2-difluoroethoxy)ethyl]-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 103081594

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]-4-ethyl-1,3-thiazol-2-amine?
The IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]-4-ethyl-1,3-thiazol-2-amine (CID 103081678) is N-[2-(2,2-difluoroethoxy)ethyl]-4-ethyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[2-(2,2-difluoroethoxy)ethyl]-4-ethyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[2-(2,2-difluoroethoxy)ethyl]-4-ethyl-1,3-thiazol-2-amine is CCc1csc(NCCOCC(F)F)n1.
What is the InChIKey of N-[2-(2,2-difluoroethoxy)ethyl]-4-ethyl-1,3-thiazol-2-amine?
The InChIKey is IKPNIELKFWVEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N2OS/c1-2-7-6-15-9(13-7)12-3-4-14-5-8(10)11/h6,8H,2-5H2,1H3,(H,12,13).
What are the key properties of N-[2-(2,2-difluoroethoxy)ethyl]-4-ethyl-1,3-thiazol-2-amine?
N-[2-(2,2-difluoroethoxy)ethyl]-4-ethyl-1,3-thiazol-2-amine has a molecular weight of 236.29 g/mol, XLogP of 2.40, 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-difluoroethoxy)ethyl]-4-ethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 103081678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).