N-ethyl-1,1-difluoro-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-amine

C14H16F2N2S — CID 103516842

IUPACN-ethyl-1,1-difluoro-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-amine
SMILESCCNC(Cc1nc(-c2ccccc2)cs1)C(F)F
InChIInChI=1S/C14H16F2N2S/c1-2-17-11(14(15)16)8-13-18-12(9-19-13)10-6-4-3-5-7-10/h3-7,9,11,14,17H,2,8H2,1H3
InChIKeyKVKDWAQYWMYLQT-UHFFFAOYSA-N
MW282.36 g/mol
LogP3.60
Rot. Bonds6

About N-ethyl-1,1-difluoro-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-amine

N-ethyl-1,1-difluoro-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-amine (PubChem CID 103516842) has the molecular formula C14H16F2N2S and a molecular weight of 282.36 g/mol. Its IUPAC name is N-ethyl-1,1-difluoro-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-amine.

Molecular Properties

Compound NameN-ethyl-1,1-difluoro-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-amine
PubChem CID103516842
Molecular FormulaC14H16F2N2S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC NameN-ethyl-1,1-difluoro-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-amine
SMILESCCNC(Cc1nc(-c2ccccc2)cs1)C(F)F
InChIInChI=1S/C14H16F2N2S/c1-2-17-11(14(15)16)8-13-18-12(9-19-13)10-6-4-3-5-7-10/h3-7,9,11,14,17H,2,8H2,1H3
InChIKeyKVKDWAQYWMYLQT-UHFFFAOYSA-N
XLogP3.60
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1,1-difluoro-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-amine?
The IUPAC name of N-ethyl-1,1-difluoro-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-amine (CID 103516842) is N-ethyl-1,1-difluoro-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-amine.
What is the SMILES notation for N-ethyl-1,1-difluoro-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-amine?
The canonical SMILES for N-ethyl-1,1-difluoro-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-amine is CCNC(Cc1nc(-c2ccccc2)cs1)C(F)F.
What is the InChIKey of N-ethyl-1,1-difluoro-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-amine?
The InChIKey is KVKDWAQYWMYLQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2S/c1-2-17-11(14(15)16)8-13-18-12(9-19-13)10-6-4-3-5-7-10/h3-7,9,11,14,17H,2,8H2,1H3.
What are the key properties of N-ethyl-1,1-difluoro-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-amine?
N-ethyl-1,1-difluoro-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-amine has a molecular weight of 282.36 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1,1-difluoro-3-(4-phenyl-1,3-thiazol-2-yl)propan-2-amine is sourced from PubChem (CID 103516842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).