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

C12H18F2N2OS — CID 103150646

IUPAC1-[4-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1sc(CCOCC(F)F)nc1C1CC1
InChIInChI=1S/C12H18F2N2OS/c1-15-6-9-12(8-2-3-8)16-11(18-9)4-5-17-7-10(13)14/h8,10,15H,2-7H2,1H3
InChIKeyJZHTZDYGKVOBDG-UHFFFAOYSA-N
MW276.35 g/mol
LogP2.56
Rot. Bonds8

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

1-[4-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]-N-methylmethanamine (PubChem CID 103150646) has the molecular formula C12H18F2N2OS and a molecular weight of 276.35 g/mol. Its IUPAC name is 1-[4-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]-N-methylmethanamine
PubChem CID103150646
Molecular FormulaC12H18F2N2OS
Molecular Weight276.35 g/mol
Exact Mass276.11
IUPAC Name1-[4-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1sc(CCOCC(F)F)nc1C1CC1
InChIInChI=1S/C12H18F2N2OS/c1-15-6-9-12(8-2-3-8)16-11(18-9)4-5-17-7-10(13)14/h8,10,15H,2-7H2,1H3
InChIKeyJZHTZDYGKVOBDG-UHFFFAOYSA-N
XLogP2.56
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.35
LogP ≤ 52.56
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-[[4-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 103150652
1-[2-[2-(2,2-difluoroethoxy)ethyl]-4-propan-2-yl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 103150624
1-(4-cyclopropyl-2-propyl-1,3-thiazol-5-yl)-N-methylmethanamine
CID 82436151
2-[2-(2,2-difluoroethoxy)ethyl]-N-ethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 103150145
1-[4-cyclopropyl-2-(cyclopropylmethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114367019
N-[[4-cyclopropyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 103150649
1-[4-cyclopropyl-2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82437849
N-[[2-[2-(2,2-difluoroethoxy)ethyl]-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine
CID 103150626
N-[[2-[2-(2,2-difluoroethoxy)ethyl]-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 103150617
1-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]-N-methylmethanamine
CID 103150152
1-[4-cyclopropyl-2-[(4-fluorophenoxy)methyl]-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82436579
1-[2-(cyclopentylsulfanylmethyl)-4-cyclopropyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114367056

Frequently Asked Questions

What is the IUPAC name of 1-[4-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[4-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]-N-methylmethanamine (CID 103150646) is 1-[4-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]-N-methylmethanamine is CNCc1sc(CCOCC(F)F)nc1C1CC1.
What is the InChIKey of 1-[4-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]-N-methylmethanamine?
The InChIKey is JZHTZDYGKVOBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N2OS/c1-15-6-9-12(8-2-3-8)16-11(18-9)4-5-17-7-10(13)14/h8,10,15H,2-7H2,1H3.
What are the key properties of 1-[4-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]-N-methylmethanamine?
1-[4-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]-N-methylmethanamine has a molecular weight of 276.35 g/mol, XLogP of 2.56, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 103150646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).