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

C11H16F2N2OS — CID 103150604

IUPAC[4-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methanamine
SMILESNCc1sc(CCOCC(F)F)nc1C1CC1
InChIInChI=1S/C11H16F2N2OS/c12-9(13)6-16-4-3-10-15-11(7-1-2-7)8(5-14)17-10/h7,9H,1-6,14H2
InChIKeyKQSVSJTWAXXKEP-UHFFFAOYSA-N
MW262.32 g/mol
LogP2.30
Rot. Bonds7

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

[4-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methanamine (PubChem CID 103150604) has the molecular formula C11H16F2N2OS and a molecular weight of 262.32 g/mol. Its IUPAC name is [4-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[4-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methanamine
PubChem CID103150604
Molecular FormulaC11H16F2N2OS
Molecular Weight262.32 g/mol
Exact Mass262.10
IUPAC Name[4-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methanamine
SMILESNCc1sc(CCOCC(F)F)nc1C1CC1
InChIInChI=1S/C11H16F2N2OS/c12-9(13)6-16-4-3-10-15-11(7-1-2-7)8(5-14)17-10/h7,9H,1-6,14H2
InChIKeyKQSVSJTWAXXKEP-UHFFFAOYSA-N
XLogP2.30
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 52.30
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 [4-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [4-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methanamine (CID 103150604) is [4-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [4-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [4-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methanamine is NCc1sc(CCOCC(F)F)nc1C1CC1.
What is the InChIKey of [4-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methanamine?
The InChIKey is KQSVSJTWAXXKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2OS/c12-9(13)6-16-4-3-10-15-11(7-1-2-7)8(5-14)17-10/h7,9H,1-6,14H2.
What are the key properties of [4-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methanamine?
[4-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methanamine has a molecular weight of 262.32 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-cyclopropyl-2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 103150604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).