N-(2,5-difluorophenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine

C14H18F2N2S — CID 106284811

IUPACN-(2,5-difluorophenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC(CC)C1CN=C(Nc2cc(F)ccc2F)S1
InChIInChI=1S/C14H18F2N2S/c1-3-9(4-2)13-8-17-14(19-13)18-12-7-10(15)5-6-11(12)16/h5-7,9,13H,3-4,8H2,1-2H3,(H,17,18)
InChIKeyNZTDIOYUXWKGNT-UHFFFAOYSA-N
MW284.37 g/mol
LogP4.28
Rot. Bonds4

About N-(2,5-difluorophenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine

N-(2,5-difluorophenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 106284811) has the molecular formula C14H18F2N2S and a molecular weight of 284.37 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID106284811
Molecular FormulaC14H18F2N2S
Molecular Weight284.37 g/mol
Exact Mass284.12
IUPAC NameN-(2,5-difluorophenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC(CC)C1CN=C(Nc2cc(F)ccc2F)S1
InChIInChI=1S/C14H18F2N2S/c1-3-9(4-2)13-8-17-14(19-13)18-12-7-10(15)5-6-11(12)16/h5-7,9,13H,3-4,8H2,1-2H3,(H,17,18)
InChIKeyNZTDIOYUXWKGNT-UHFFFAOYSA-N
XLogP4.28
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.37
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chloro-2-fluorophenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 106285015
N-(4-bromo-5-fluoro-2-methylphenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 106285684
N-(2,3-dichlorophenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 106284902
N-(6-methyl-3-pyridinyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 106285482
3-bromo-4-[(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]benzonitrile
CID 106285807
N-(3-bromo-4-methylphenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 106285273
N-[4-[(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]phenyl]acetamide
CID 106284715
N-(3-bromo-4-methoxyphenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 106285384
N-(2,6-dichloro-3-methylphenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 106284776
N-cyclopropyl-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 106284732
N-(2,5-difluorophenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 29068132
5-pentan-3-yl-N-(2,2,3-trimethylbutyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 106285842

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(2,5-difluorophenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine (CID 106284811) is N-(2,5-difluorophenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2,5-difluorophenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(2,5-difluorophenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine is CCC(CC)C1CN=C(Nc2cc(F)ccc2F)S1.
What is the InChIKey of N-(2,5-difluorophenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is NZTDIOYUXWKGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2S/c1-3-9(4-2)13-8-17-14(19-13)18-12-7-10(15)5-6-11(12)16/h5-7,9,13H,3-4,8H2,1-2H3,(H,17,18).
What are the key properties of N-(2,5-difluorophenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine?
N-(2,5-difluorophenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 284.37 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 106284811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).