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

C12H22F2N2OS — CID 114168436

IUPACN-[2-(2,2-difluoroethoxy)ethyl]-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC(CC)C1CN=C(NCCOCC(F)F)S1
InChIInChI=1S/C12H22F2N2OS/c1-3-9(4-2)10-7-16-12(18-10)15-5-6-17-8-11(13)14/h9-11H,3-8H2,1-2H3,(H,15,16)
InChIKeyBYFJHZKGZGNHGF-UHFFFAOYSA-N
MW280.38 g/mol
LogP2.77
Rot. Bonds8

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

N-[2-(2,2-difluoroethoxy)ethyl]-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 114168436) has the molecular formula C12H22F2N2OS and a molecular weight of 280.38 g/mol. Its IUPAC name is N-[2-(2,2-difluoroethoxy)ethyl]-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[2-(2,2-difluoroethoxy)ethyl]-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID114168436
Molecular FormulaC12H22F2N2OS
Molecular Weight280.38 g/mol
Exact Mass280.14
IUPAC NameN-[2-(2,2-difluoroethoxy)ethyl]-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC(CC)C1CN=C(NCCOCC(F)F)S1
InChIInChI=1S/C12H22F2N2OS/c1-3-9(4-2)10-7-16-12(18-10)15-5-6-17-8-11(13)14/h9-11H,3-8H2,1-2H3,(H,15,16)
InChIKeyBYFJHZKGZGNHGF-UHFFFAOYSA-N
XLogP2.77
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 52.77
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

5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 63827565
5-cyclopropyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 63828097
5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 65035435
N-[2-(2,2-difluoroethoxy)ethyl]-5-(2,2-dimethylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 105916872
N-[2-(2,2-difluoroethoxy)ethyl]-5-ethyl-4,5-dihydro-1,3-thiazol-2-amine
CID 105916874
N-[2-(2,2-difluoroethoxy)ethyl]-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 105916878
N-[2-(2,2-difluoroethoxy)ethyl]-5-propyl-4,5-dihydro-1,3-thiazol-2-amine
CID 105916886
5-cyclopropyl-N-[2-(2,2-difluoroethoxy)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 105916890
N-[2-(2,2-difluoroethoxy)ethyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 105916893
N-[2-(2,2-difluoroethoxy)ethyl]-5,5-dimethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 105916903
N-[2-(2,2-difluoroethoxy)ethyl]-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 105916906
5,5-diethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-4,6-dihydro-1,3-thiazin-2-amine
CID 106250918

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine (CID 114168436) is N-[2-(2,2-difluoroethoxy)ethyl]-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-[2-(2,2-difluoroethoxy)ethyl]-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-[2-(2,2-difluoroethoxy)ethyl]-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine is CCC(CC)C1CN=C(NCCOCC(F)F)S1.
What is the InChIKey of N-[2-(2,2-difluoroethoxy)ethyl]-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is BYFJHZKGZGNHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F2N2OS/c1-3-9(4-2)10-7-16-12(18-10)15-5-6-17-8-11(13)14/h9-11H,3-8H2,1-2H3,(H,15,16).
What are the key properties of N-[2-(2,2-difluoroethoxy)ethyl]-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine?
N-[2-(2,2-difluoroethoxy)ethyl]-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 280.38 g/mol, XLogP of 2.77, 8 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]-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 114168436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).