N-(4-fluorophenyl)-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine

C19H18FN3S — CID 134126795

IUPACN-(4-fluorophenyl)-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine
SMILESFc1ccc(Nc2nc(-c3ccc(N4CCCC4)cc3)cs2)cc1
InChIInChI=1S/C19H18FN3S/c20-15-5-7-16(8-6-15)21-19-22-18(13-24-19)14-3-9-17(10-4-14)23-11-1-2-12-23/h3-10,13H,1-2,11-12H2,(H,21,22)
InChIKeyDMRYUXINGXENLV-UHFFFAOYSA-N
MW339.44 g/mol
LogP5.29
Rot. Bonds4

About N-(4-fluorophenyl)-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine

N-(4-fluorophenyl)-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine (PubChem CID 134126795) has the molecular formula C19H18FN3S and a molecular weight of 339.44 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine
PubChem CID134126795
Molecular FormulaC19H18FN3S
Molecular Weight339.44 g/mol
Exact Mass339.12
IUPAC NameN-(4-fluorophenyl)-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine
SMILESFc1ccc(Nc2nc(-c3ccc(N4CCCC4)cc3)cs2)cc1
InChIInChI=1S/C19H18FN3S/c20-15-5-7-16(8-6-15)21-19-22-18(13-24-19)14-3-9-17(10-4-14)23-11-1-2-12-23/h3-10,13H,1-2,11-12H2,(H,21,22)
InChIKeyDMRYUXINGXENLV-UHFFFAOYSA-N
XLogP5.29
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.44
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-yl]amino]benzoic acid
CID 10150294
N,4-bis(4-fluorophenyl)-1,3-thiazol-2-amine;hydrobromide
CID 2840600
N-(4-nitrophenyl)-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine
CID 59088612
4-phenyl-N-(4-piperazin-1-ylphenyl)-1,3-thiazol-2-amine
CID 117097264
N-(4-fluorophenyl)-4-(4-methylphenyl)-1,3-thiazol-2-amine;hydrobromide
CID 2840281
N-methyl-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine
CID 59088623
4-(1,3-benzodioxol-5-yl)-N-(4-piperidin-1-ylphenyl)-1,3-thiazol-2-amine
CID 58910672
4-(4-chlorophenyl)-N-(4-morpholin-4-ylphenyl)-1,3-thiazol-2-amine
CID 118708824
N-(4-iodophenyl)-4-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazol-2-amine
CID 58910824
ethyl 4-[[4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-yl]amino]benzoate
CID 58910528
N-(4-fluorophenyl)-4-pyridin-4-yl-1,3-thiazol-2-amine;hydrochloride
CID 163328871
4-(4-fluorophenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 4093037

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of N-(4-fluorophenyl)-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine (CID 134126795) is N-(4-fluorophenyl)-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(4-fluorophenyl)-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(4-fluorophenyl)-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine is Fc1ccc(Nc2nc(-c3ccc(N4CCCC4)cc3)cs2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine?
The InChIKey is DMRYUXINGXENLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3S/c20-15-5-7-16(8-6-15)21-19-22-18(13-24-19)14-3-9-17(10-4-14)23-11-1-2-12-23/h3-10,13H,1-2,11-12H2,(H,21,22).
What are the key properties of N-(4-fluorophenyl)-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine?
N-(4-fluorophenyl)-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine has a molecular weight of 339.44 g/mol, XLogP of 5.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 134126795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).