N-[(1S)-1-(4-fluorophenyl)ethyl]-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine

C14H19FN2S — CID 143468528

IUPACN-[(1S)-1-(4-fluorophenyl)ethyl]-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)C1CN=C(N[C@@H](C)c2ccc(F)cc2)S1
InChIInChI=1S/C14H19FN2S/c1-9(2)13-8-16-14(18-13)17-10(3)11-4-6-12(15)7-5-11/h4-7,9-10,13H,8H2,1-3H3,(H,16,17)/t10-,13?/m0/s1
InChIKeyMKVIXMAOMSHGEG-NKUHCKNESA-N
MW266.38 g/mol
LogP3.60
Rot. Bonds3

About N-[(1S)-1-(4-fluorophenyl)ethyl]-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine

N-[(1S)-1-(4-fluorophenyl)ethyl]-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 143468528) has the molecular formula C14H19FN2S and a molecular weight of 266.38 g/mol. Its IUPAC name is N-[(1S)-1-(4-fluorophenyl)ethyl]-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(1S)-1-(4-fluorophenyl)ethyl]-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID143468528
Molecular FormulaC14H19FN2S
Molecular Weight266.38 g/mol
Exact Mass266.13
IUPAC NameN-[(1S)-1-(4-fluorophenyl)ethyl]-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)C1CN=C(N[C@@H](C)c2ccc(F)cc2)S1
InChIInChI=1S/C14H19FN2S/c1-9(2)13-8-16-14(18-13)17-10(3)11-4-6-12(15)7-5-11/h4-7,9-10,13H,8H2,1-3H3,(H,16,17)/t10-,13?/m0/s1
InChIKeyMKVIXMAOMSHGEG-NKUHCKNESA-N
XLogP3.60
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-Dihydro-N-((4-methylphenyl)methyl)-2-thiazolamine
CID 2737945
5-methyl-N-(2-phenylethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 2966629
(4,5-Dihydro-thiazol-2-yl)-phenethyl-amine
CID 2404807
4,4-dimethyl-N-(2-phenylethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 135465266
4H-1,3-Thiazin-2-amine, 5,6-dihydro-N-(2-phenylethyl)-
CID 2363238
N-benzyl-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 383596
N-(4-fluorobenzyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 2997276
5-methyl-N-(1-phenylethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 2997387
(4R,5S)-2-[(3-fluorophenyl)methylsulfanyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
CID 45273183
N-benzyl-4,4-dimethyl-4,5-dihydro-1,3-thiazol-2-amine
CID 135439903
N-(1-phenylethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 3856622
N-Benzyl-4,5-dihydro-1,3-thiazol-2-amine
CID 2339337

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-fluorophenyl)ethyl]-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-[(1S)-1-(4-fluorophenyl)ethyl]-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine (CID 143468528) is N-[(1S)-1-(4-fluorophenyl)ethyl]-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(1S)-1-(4-fluorophenyl)ethyl]-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-[(1S)-1-(4-fluorophenyl)ethyl]-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine is CC(C)C1CN=C(N[C@@H](C)c2ccc(F)cc2)S1.
What is the InChIKey of N-[(1S)-1-(4-fluorophenyl)ethyl]-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is MKVIXMAOMSHGEG-NKUHCKNESA-N. The full InChI is InChI=1S/C14H19FN2S/c1-9(2)13-8-16-14(18-13)17-10(3)11-4-6-12(15)7-5-11/h4-7,9-10,13H,8H2,1-3H3,(H,16,17)/t10-,13?/m0/s1.
What are the key properties of N-[(1S)-1-(4-fluorophenyl)ethyl]-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
N-[(1S)-1-(4-fluorophenyl)ethyl]-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 266.38 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-fluorophenyl)ethyl]-5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 143468528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).