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

C13H14FN3S — CID 169049121

IUPAC4-[(2R)-1-(4-fluorophenyl)pyrrolidin-2-yl]-1,3-thiazol-2-amine
SMILESNc1nc([C@H]2CCCN2c2ccc(F)cc2)cs1
InChIInChI=1S/C13H14FN3S/c14-9-3-5-10(6-4-9)17-7-1-2-12(17)11-8-18-13(15)16-11/h3-6,8,12H,1-2,7H2,(H2,15,16)/t12-/m1/s1
InChIKeyMHVNWICGFPWTHI-GFCCVEGCSA-N
MW263.34 g/mol
LogP3.21
Rot. Bonds2

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

4-[(2R)-1-(4-fluorophenyl)pyrrolidin-2-yl]-1,3-thiazol-2-amine (PubChem CID 169049121) has the molecular formula C13H14FN3S and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-[(2R)-1-(4-fluorophenyl)pyrrolidin-2-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[(2R)-1-(4-fluorophenyl)pyrrolidin-2-yl]-1,3-thiazol-2-amine
PubChem CID169049121
Molecular FormulaC13H14FN3S
Molecular Weight263.34 g/mol
Exact Mass263.09
IUPAC Name4-[(2R)-1-(4-fluorophenyl)pyrrolidin-2-yl]-1,3-thiazol-2-amine
SMILESNc1nc([C@H]2CCCN2c2ccc(F)cc2)cs1
InChIInChI=1S/C13H14FN3S/c14-9-3-5-10(6-4-9)17-7-1-2-12(17)11-8-18-13(15)16-11/h3-6,8,12H,1-2,7H2,(H2,15,16)/t12-/m1/s1
InChIKeyMHVNWICGFPWTHI-GFCCVEGCSA-N
XLogP3.21
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-phenyl-1,3-thiazol-2-amine
CID 676722
4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(4-fluorophenyl)-1,3-thiazol-2-amine
CID 1092472
4-(4-(1-Pyrrolidinyl)Phenyl)-1,3-Thiazol-2-Ylamine
CID 18526123
3,4-Dimethyl-2-(phenylamino)thiazol-3-ium bromide
CID 16188104
3-(2-amino-1,3-thiazol-4-yl)-4-phenyl-1H-1,2,4-triazole-5-thione
CID 72205423
N-(4-fluorophenyl)-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine
CID 163214618
N-(3-fluorophenyl)-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine
CID 163214681
N-(2-fluorophenyl)-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine
CID 163214690
4-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
CID 28781046
2-{2-[(4-Fluorophenyl)amino]-1,3-thiazol-4-yl}-1-(pyrrolidin-1-yl)ethan-1-one
CID 27377825
1-(3-Fluorophenyl)-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea
CID 72113803
N-phenyl-4-(piperidin-1-ylmethyl)-1,3-thiazol-2-amine
CID 2727791

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-1-(4-fluorophenyl)pyrrolidin-2-yl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[(2R)-1-(4-fluorophenyl)pyrrolidin-2-yl]-1,3-thiazol-2-amine (CID 169049121) is 4-[(2R)-1-(4-fluorophenyl)pyrrolidin-2-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[(2R)-1-(4-fluorophenyl)pyrrolidin-2-yl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[(2R)-1-(4-fluorophenyl)pyrrolidin-2-yl]-1,3-thiazol-2-amine is Nc1nc([C@H]2CCCN2c2ccc(F)cc2)cs1.
What is the InChIKey of 4-[(2R)-1-(4-fluorophenyl)pyrrolidin-2-yl]-1,3-thiazol-2-amine?
The InChIKey is MHVNWICGFPWTHI-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H14FN3S/c14-9-3-5-10(6-4-9)17-7-1-2-12(17)11-8-18-13(15)16-11/h3-6,8,12H,1-2,7H2,(H2,15,16)/t12-/m1/s1.
What are the key properties of 4-[(2R)-1-(4-fluorophenyl)pyrrolidin-2-yl]-1,3-thiazol-2-amine?
4-[(2R)-1-(4-fluorophenyl)pyrrolidin-2-yl]-1,3-thiazol-2-amine has a molecular weight of 263.34 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-1-(4-fluorophenyl)pyrrolidin-2-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 169049121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).