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

C14H22F2N2OS — CID 103150652

IUPACN-[[4-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCC(C)NCc1sc(CCOCC(F)F)nc1C1CC1
InChIInChI=1S/C14H22F2N2OS/c1-9(2)17-7-11-14(10-3-4-10)18-13(20-11)5-6-19-8-12(15)16/h9-10,12,17H,3-8H2,1-2H3
InChIKeyNXEPGRKNRZZACF-UHFFFAOYSA-N
MW304.41 g/mol
LogP3.34
Rot. Bonds9

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

N-[[4-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine (PubChem CID 103150652) 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-2-amine.

Molecular Properties

Compound NameN-[[4-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine
PubChem CID103150652
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-2-amine
SMILESCC(C)NCc1sc(CCOCC(F)F)nc1C1CC1
InChIInChI=1S/C14H22F2N2OS/c1-9(2)17-7-11-14(10-3-4-10)18-13(20-11)5-6-19-8-12(15)16/h9-10,12,17H,3-8H2,1-2H3
InChIKeyNXEPGRKNRZZACF-UHFFFAOYSA-N
XLogP3.34
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
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'}

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

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

Launch Full Analysis

Related Compounds

1-[4-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]-N-methylmethanamine
CID 103150646
N-[[2-[2-(2,2-difluoroethoxy)ethyl]-4-ethyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 103150582
N-[[2-[2-(2,2-difluoroethoxy)ethyl]-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 103150641
N-[[4-cyclopropyl-2-(ethylsulfonylmethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 82436832
1-[2-[2-(2,2-difluoroethoxy)ethyl]-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 103150624
N-[[2-[(4-bromophenyl)methyl]-4-cyclopropyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114367481
2-[2-(2,2-difluoroethoxy)ethyl]-N-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 103150145
N-[[2-[2-(2,2-difluoroethoxy)ethyl]-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine
CID 103150626
N-[[4-cyclopropyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 103150649
4-cyclopropyl-N-methyl-N-(3-methylbutan-2-yl)-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 63916185
N-[[2-[2-(2,2-difluoroethoxy)ethyl]-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 103150617
N-cyclopentyl-4-cyclopropyl-N-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 63917340

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-2-amine?
The IUPAC name of N-[[4-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine (CID 103150652) is N-[[4-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine is CC(C)NCc1sc(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-2-amine?
The InChIKey is NXEPGRKNRZZACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F2N2OS/c1-9(2)17-7-11-14(10-3-4-10)18-13(20-11)5-6-19-8-12(15)16/h9-10,12,17H,3-8H2,1-2H3.
What are the key properties of N-[[4-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine?
N-[[4-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine has a molecular weight of 304.41 g/mol, XLogP of 3.34, 9 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-2-amine is sourced from PubChem (CID 103150652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).