N-[(3,5-difluorophenyl)methyl]-2-(1,3-thiazol-2-yl)butan-2-amine

C14H16F2N2S — CID 122132301

IUPACN-[(3,5-difluorophenyl)methyl]-2-(1,3-thiazol-2-yl)butan-2-amine
SMILESCCC(C)(NCc1cc(F)cc(F)c1)c1nccs1
InChIInChI=1S/C14H16F2N2S/c1-3-14(2,13-17-4-5-19-13)18-9-10-6-11(15)8-12(16)7-10/h4-8,18H,3,9H2,1-2H3
InChIKeyDNKZTGXNJUQDEK-UHFFFAOYSA-N
MW282.36 g/mol
LogP3.84
Rot. Bonds5

About N-[(3,5-difluorophenyl)methyl]-2-(1,3-thiazol-2-yl)butan-2-amine

N-[(3,5-difluorophenyl)methyl]-2-(1,3-thiazol-2-yl)butan-2-amine (PubChem CID 122132301) has the molecular formula C14H16F2N2S and a molecular weight of 282.36 g/mol. Its IUPAC name is N-[(3,5-difluorophenyl)methyl]-2-(1,3-thiazol-2-yl)butan-2-amine.

Molecular Properties

Compound NameN-[(3,5-difluorophenyl)methyl]-2-(1,3-thiazol-2-yl)butan-2-amine
PubChem CID122132301
Molecular FormulaC14H16F2N2S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC NameN-[(3,5-difluorophenyl)methyl]-2-(1,3-thiazol-2-yl)butan-2-amine
SMILESCCC(C)(NCc1cc(F)cc(F)c1)c1nccs1
InChIInChI=1S/C14H16F2N2S/c1-3-14(2,13-17-4-5-19-13)18-9-10-6-11(15)8-12(16)7-10/h4-8,18H,3,9H2,1-2H3
InChIKeyDNKZTGXNJUQDEK-UHFFFAOYSA-N
XLogP3.84
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-fluoro-3-pyridinyl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine
CID 113471750
(2S)-N-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)butan-2-amine
CID 95901364
1-(4-fluorophenyl)-2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]ethanol
CID 111496642
N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-2-(1,3-thiazol-2-yl)butan-2-amine
CID 71986720
(2S)-N-(2-piperidin-1-ylethyl)-2-(1,3-thiazol-2-yl)butan-2-amine
CID 95901402
N-propan-2-yl-2-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]acetamide
CID 96519869
N-[(3-methylthiophen-2-yl)methyl]-2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]acetamide
CID 71868953
(2S)-2-(1,3-thiazol-2-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]butan-2-amine
CID 95901404
2-chloro-N-[2-(1,3-thiazol-2-yl)butan-2-yl]acetamide
CID 146085866
ethane;2-(2-methylbutan-2-yl)-1,3-thiazole
CID 143011926
1-piperidin-1-yl-2-[[(2R)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]ethanone
CID 95901357
1-(pyridin-4-ylmethyl)-3-[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]urea
CID 97095551

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-difluorophenyl)methyl]-2-(1,3-thiazol-2-yl)butan-2-amine?
The IUPAC name of N-[(3,5-difluorophenyl)methyl]-2-(1,3-thiazol-2-yl)butan-2-amine (CID 122132301) is N-[(3,5-difluorophenyl)methyl]-2-(1,3-thiazol-2-yl)butan-2-amine.
What is the SMILES notation for N-[(3,5-difluorophenyl)methyl]-2-(1,3-thiazol-2-yl)butan-2-amine?
The canonical SMILES for N-[(3,5-difluorophenyl)methyl]-2-(1,3-thiazol-2-yl)butan-2-amine is CCC(C)(NCc1cc(F)cc(F)c1)c1nccs1.
What is the InChIKey of N-[(3,5-difluorophenyl)methyl]-2-(1,3-thiazol-2-yl)butan-2-amine?
The InChIKey is DNKZTGXNJUQDEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2S/c1-3-14(2,13-17-4-5-19-13)18-9-10-6-11(15)8-12(16)7-10/h4-8,18H,3,9H2,1-2H3.
What are the key properties of N-[(3,5-difluorophenyl)methyl]-2-(1,3-thiazol-2-yl)butan-2-amine?
N-[(3,5-difluorophenyl)methyl]-2-(1,3-thiazol-2-yl)butan-2-amine has a molecular weight of 282.36 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-difluorophenyl)methyl]-2-(1,3-thiazol-2-yl)butan-2-amine is sourced from PubChem (CID 122132301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).