N-[(4-tert-butyl-1,3-thiazol-2-yl)-(3,5-difluorophenyl)methyl]ethanamine

C16H20F2N2S — CID 106531768

IUPACN-[(4-tert-butyl-1,3-thiazol-2-yl)-(3,5-difluorophenyl)methyl]ethanamine
SMILESCCNC(c1cc(F)cc(F)c1)c1nc(C(C)(C)C)cs1
InChIInChI=1S/C16H20F2N2S/c1-5-19-14(10-6-11(17)8-12(18)7-10)15-20-13(9-21-15)16(2,3)4/h6-9,14,19H,5H2,1-4H3
InChIKeyWUGGRUNKQWCRTC-UHFFFAOYSA-N
MW310.41 g/mol
LogP4.42
Rot. Bonds4

About N-[(4-tert-butyl-1,3-thiazol-2-yl)-(3,5-difluorophenyl)methyl]ethanamine

N-[(4-tert-butyl-1,3-thiazol-2-yl)-(3,5-difluorophenyl)methyl]ethanamine (PubChem CID 106531768) has the molecular formula C16H20F2N2S and a molecular weight of 310.41 g/mol. Its IUPAC name is N-[(4-tert-butyl-1,3-thiazol-2-yl)-(3,5-difluorophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-tert-butyl-1,3-thiazol-2-yl)-(3,5-difluorophenyl)methyl]ethanamine
PubChem CID106531768
Molecular FormulaC16H20F2N2S
Molecular Weight310.41 g/mol
Exact Mass310.13
IUPAC NameN-[(4-tert-butyl-1,3-thiazol-2-yl)-(3,5-difluorophenyl)methyl]ethanamine
SMILESCCNC(c1cc(F)cc(F)c1)c1nc(C(C)(C)C)cs1
InChIInChI=1S/C16H20F2N2S/c1-5-19-14(10-6-11(17)8-12(18)7-10)15-20-13(9-21-15)16(2,3)4/h6-9,14,19H,5H2,1-4H3
InChIKeyWUGGRUNKQWCRTC-UHFFFAOYSA-N
XLogP4.42
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.41
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-tert-butyl-1,3-thiazol-2-yl)-(3,4-difluorophenyl)methyl]ethanamine
CID 61331630
N-[(4-tert-butyl-1,3-thiazol-2-yl)-(3-methylphenyl)methyl]ethanamine
CID 61331627
N-[(4-tert-butyl-1,3-thiazol-2-yl)-(3-chloro-2-fluorophenyl)methyl]ethanamine
CID 114488399
N-[(4-tert-butylthiadiazol-5-yl)-(3,5-difluorophenyl)methyl]ethanamine
CID 105142006
1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethylbutan-1-amine
CID 61331826
N-[(3,5-difluorophenyl)-pyrimidin-5-ylmethyl]ethanamine
CID 62491730
1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyl-3-methoxy-3-methylbutan-1-amine
CID 106676094
1-(4-tert-butyl-1,3-thiazol-2-yl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine
CID 62122089
1-(4-bromo-3-methylphenyl)-1-(4-tert-butyl-1,3-thiazol-2-yl)-N-methylmethanamine
CID 66481594
2-[[(S)-(4-tert-butyl-1,3-thiazol-2-yl)-phenylmethyl]amino]ethanol
CID 97031304
1-(4-tert-butyl-1,3-thiazol-2-yl)-N-ethyloctan-1-amine
CID 63405858
N-[(3,5-difluorophenyl)-phenylmethyl]ethanamine
CID 43489099

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butyl-1,3-thiazol-2-yl)-(3,5-difluorophenyl)methyl]ethanamine?
The IUPAC name of N-[(4-tert-butyl-1,3-thiazol-2-yl)-(3,5-difluorophenyl)methyl]ethanamine (CID 106531768) is N-[(4-tert-butyl-1,3-thiazol-2-yl)-(3,5-difluorophenyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-tert-butyl-1,3-thiazol-2-yl)-(3,5-difluorophenyl)methyl]ethanamine?
The canonical SMILES for N-[(4-tert-butyl-1,3-thiazol-2-yl)-(3,5-difluorophenyl)methyl]ethanamine is CCNC(c1cc(F)cc(F)c1)c1nc(C(C)(C)C)cs1.
What is the InChIKey of N-[(4-tert-butyl-1,3-thiazol-2-yl)-(3,5-difluorophenyl)methyl]ethanamine?
The InChIKey is WUGGRUNKQWCRTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N2S/c1-5-19-14(10-6-11(17)8-12(18)7-10)15-20-13(9-21-15)16(2,3)4/h6-9,14,19H,5H2,1-4H3.
What are the key properties of N-[(4-tert-butyl-1,3-thiazol-2-yl)-(3,5-difluorophenyl)methyl]ethanamine?
N-[(4-tert-butyl-1,3-thiazol-2-yl)-(3,5-difluorophenyl)methyl]ethanamine has a molecular weight of 310.41 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butyl-1,3-thiazol-2-yl)-(3,5-difluorophenyl)methyl]ethanamine is sourced from PubChem (CID 106531768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).