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

C14H22F2N2OS — CID 103150650

IUPACN-[[4-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1sc(CCOCC(F)F)nc1C1CC1
InChIInChI=1S/C14H22F2N2OS/c1-2-6-17-8-11-14(10-3-4-10)18-13(20-11)5-7-19-9-12(15)16/h10,12,17H,2-9H2,1H3
InChIKeyKOKYWXQUSACCFT-UHFFFAOYSA-N
MW304.41 g/mol
LogP3.34
Rot. Bonds10

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

N-[[4-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-1-amine (PubChem CID 103150650) has the molecular formula C14H22F2N2OS and a molecular weight of 304.41 g/mol. Its IUPAC name is N-[[4-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-1-amine
PubChem CID103150650
Molecular FormulaC14H22F2N2OS
Molecular Weight304.41 g/mol
Exact Mass304.14
IUPAC NameN-[[4-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1sc(CCOCC(F)F)nc1C1CC1
InChIInChI=1S/C14H22F2N2OS/c1-2-6-17-8-11-14(10-3-4-10)18-13(20-11)5-7-19-9-12(15)16/h10,12,17H,2-9H2,1H3
InChIKeyKOKYWXQUSACCFT-UHFFFAOYSA-N
XLogP3.34
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 53.34
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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Frequently Asked Questions

What is the IUPAC name of N-[[4-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-1-amine?
The IUPAC name of N-[[4-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-1-amine (CID 103150650) is N-[[4-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-1-amine is CCCNCc1sc(CCOCC(F)F)nc1C1CC1.
What is the InChIKey of N-[[4-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-1-amine?
The InChIKey is KOKYWXQUSACCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F2N2OS/c1-2-6-17-8-11-14(10-3-4-10)18-13(20-11)5-7-19-9-12(15)16/h10,12,17H,2-9H2,1H3.
What are the key properties of N-[[4-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-1-amine?
N-[[4-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-1-amine has a molecular weight of 304.41 g/mol, XLogP of 3.34, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 103150650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).