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

C14H18ClFN2S — CID 106285015

IUPACN-(4-chloro-2-fluorophenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC(CC)C1CN=C(Nc2ccc(Cl)cc2F)S1
InChIInChI=1S/C14H18ClFN2S/c1-3-9(4-2)13-8-17-14(19-13)18-12-6-5-10(15)7-11(12)16/h5-7,9,13H,3-4,8H2,1-2H3,(H,17,18)
InChIKeyBZNJMXFJVVGOQL-UHFFFAOYSA-N
MW300.83 g/mol
LogP4.80
Rot. Bonds4

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

N-(4-chloro-2-fluorophenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 106285015) has the molecular formula C14H18ClFN2S and a molecular weight of 300.83 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID106285015
Molecular FormulaC14H18ClFN2S
Molecular Weight300.83 g/mol
Exact Mass300.09
IUPAC NameN-(4-chloro-2-fluorophenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC(CC)C1CN=C(Nc2ccc(Cl)cc2F)S1
InChIInChI=1S/C14H18ClFN2S/c1-3-9(4-2)13-8-17-14(19-13)18-12-6-5-10(15)7-11(12)16/h5-7,9,13H,3-4,8H2,1-2H3,(H,17,18)
InChIKeyBZNJMXFJVVGOQL-UHFFFAOYSA-N
XLogP4.80
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-difluorophenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 106284811
N-(2,3-dichlorophenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 106284902
N-(4-bromo-5-fluoro-2-methylphenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 106285684
N-(4-methyl-3-pyridinyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 106285270
3-bromo-4-[(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]benzonitrile
CID 106285807
N-(3,4-dimethylphenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 106284901
5-pentan-3-yl-N-quinolin-5-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 106284803
5-pentan-3-yl-N-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 106284824
N-[4-(difluoromethoxy)phenyl]-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 106284917
N-[4-[(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]phenyl]acetamide
CID 106284715
N-(6-methyl-3-pyridinyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 106285482
N-(4-chloro-2-methylphenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 2865536

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine (CID 106285015) is N-(4-chloro-2-fluorophenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine is CCC(CC)C1CN=C(Nc2ccc(Cl)cc2F)S1.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is BZNJMXFJVVGOQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClFN2S/c1-3-9(4-2)13-8-17-14(19-13)18-12-6-5-10(15)7-11(12)16/h5-7,9,13H,3-4,8H2,1-2H3,(H,17,18).
What are the key properties of N-(4-chloro-2-fluorophenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine?
N-(4-chloro-2-fluorophenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 300.83 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 106285015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).