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

C14H24F2N2OS — CID 103150628

IUPACN-[[2-[2-(2,2-difluoroethoxy)ethyl]-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1sc(CCOCC(F)F)nc1C(C)C
InChIInChI=1S/C14H24F2N2OS/c1-4-6-17-8-11-14(10(2)3)18-13(20-11)5-7-19-9-12(15)16/h10,12,17H,4-9H2,1-3H3
InChIKeyNXFRMBGVKHICQQ-UHFFFAOYSA-N
MW306.42 g/mol
LogP3.59
Rot. Bonds10

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

N-[[2-[2-(2,2-difluoroethoxy)ethyl]-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine (PubChem CID 103150628) 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-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-[2-(2,2-difluoroethoxy)ethyl]-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine
PubChem CID103150628
Molecular FormulaC14H24F2N2OS
Molecular Weight306.42 g/mol
Exact Mass306.16
IUPAC NameN-[[2-[2-(2,2-difluoroethoxy)ethyl]-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1sc(CCOCC(F)F)nc1C(C)C
InChIInChI=1S/C14H24F2N2OS/c1-4-6-17-8-11-14(10(2)3)18-13(20-11)5-7-19-9-12(15)16/h10,12,17H,4-9H2,1-3H3
InChIKeyNXFRMBGVKHICQQ-UHFFFAOYSA-N
XLogP3.59
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.42
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-(2,2-difluoroethoxy)ethyl]-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine?
The IUPAC name of N-[[2-[2-(2,2-difluoroethoxy)ethyl]-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine (CID 103150628) is N-[[2-[2-(2,2-difluoroethoxy)ethyl]-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-[2-(2,2-difluoroethoxy)ethyl]-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-[2-(2,2-difluoroethoxy)ethyl]-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine is CCCNCc1sc(CCOCC(F)F)nc1C(C)C.
What is the InChIKey of N-[[2-[2-(2,2-difluoroethoxy)ethyl]-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine?
The InChIKey is NXFRMBGVKHICQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F2N2OS/c1-4-6-17-8-11-14(10(2)3)18-13(20-11)5-7-19-9-12(15)16/h10,12,17H,4-9H2,1-3H3.
What are the key properties of N-[[2-[2-(2,2-difluoroethoxy)ethyl]-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine?
N-[[2-[2-(2,2-difluoroethoxy)ethyl]-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine has a molecular weight of 306.42 g/mol, XLogP of 3.59, 10 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-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 103150628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).