N-(4-fluorophenyl)-N-[(3S)-pyrrolidin-3-yl]-1,3-thiazol-2-amine

C13H14FN3S — CID 15604518

IUPACN-(4-fluorophenyl)-N-[(3S)-pyrrolidin-3-yl]-1,3-thiazol-2-amine
SMILESFc1ccc(N(c2nccs2)[C@H]2CCNC2)cc1
InChIInChI=1S/C13H14FN3S/c14-10-1-3-11(4-2-10)17(12-5-6-15-9-12)13-16-7-8-18-13/h1-4,7-8,12,15H,5-6,9H2/t12-/m0/s1
InChIKeyIGHUPXKPYUTDSP-LBPRGKRZSA-N
MW263.34 g/mol
LogP2.78
Rot. Bonds3

About N-(4-fluorophenyl)-N-[(3S)-pyrrolidin-3-yl]-1,3-thiazol-2-amine

N-(4-fluorophenyl)-N-[(3S)-pyrrolidin-3-yl]-1,3-thiazol-2-amine (PubChem CID 15604518) has the molecular formula C13H14FN3S and a molecular weight of 263.34 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N-[(3S)-pyrrolidin-3-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-N-[(3S)-pyrrolidin-3-yl]-1,3-thiazol-2-amine
PubChem CID15604518
Molecular FormulaC13H14FN3S
Molecular Weight263.34 g/mol
Exact Mass263.09
IUPAC NameN-(4-fluorophenyl)-N-[(3S)-pyrrolidin-3-yl]-1,3-thiazol-2-amine
SMILESFc1ccc(N(c2nccs2)[C@H]2CCNC2)cc1
InChIInChI=1S/C13H14FN3S/c14-10-1-3-11(4-2-10)17(12-5-6-15-9-12)13-16-7-8-18-13/h1-4,7-8,12,15H,5-6,9H2/t12-/m0/s1
InChIKeyIGHUPXKPYUTDSP-LBPRGKRZSA-N
XLogP2.78
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-N-[(3S)-pyrrolidin-3-yl]-1,3-thiazol-2-amine?
The IUPAC name of N-(4-fluorophenyl)-N-[(3S)-pyrrolidin-3-yl]-1,3-thiazol-2-amine (CID 15604518) is N-(4-fluorophenyl)-N-[(3S)-pyrrolidin-3-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-(4-fluorophenyl)-N-[(3S)-pyrrolidin-3-yl]-1,3-thiazol-2-amine?
The canonical SMILES for N-(4-fluorophenyl)-N-[(3S)-pyrrolidin-3-yl]-1,3-thiazol-2-amine is Fc1ccc(N(c2nccs2)[C@H]2CCNC2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-N-[(3S)-pyrrolidin-3-yl]-1,3-thiazol-2-amine?
The InChIKey is IGHUPXKPYUTDSP-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H14FN3S/c14-10-1-3-11(4-2-10)17(12-5-6-15-9-12)13-16-7-8-18-13/h1-4,7-8,12,15H,5-6,9H2/t12-/m0/s1.
What are the key properties of N-(4-fluorophenyl)-N-[(3S)-pyrrolidin-3-yl]-1,3-thiazol-2-amine?
N-(4-fluorophenyl)-N-[(3S)-pyrrolidin-3-yl]-1,3-thiazol-2-amine has a molecular weight of 263.34 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-N-[(3S)-pyrrolidin-3-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 15604518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).