(1S,3R,4R)-3-amino-N-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-4-hydroxycyclopentane-1-carboxamide

C16H18FN3O2S — CID 154818526

IUPAC(1S,3R,4R)-3-amino-N-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-4-hydroxycyclopentane-1-carboxamide
SMILESN[C@@H]1C[C@H](C(=O)NCc2nc(-c3ccc(F)cc3)cs2)C[C@H]1O
InChIInChI=1S/C16H18FN3O2S/c17-11-3-1-9(2-4-11)13-8-23-15(20-13)7-19-16(22)10-5-12(18)14(21)6-10/h1-4,8,10,12,14,21H,5-7,18H2,(H,19,22)/t10-,12+,14+/m0/s1
InChIKeyJRLXTCNIRXAAFK-ZKYQVNSYSA-N
MW335.40 g/mol
LogP1.66
Rot. Bonds4

About (1S,3R,4R)-3-amino-N-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-4-hydroxycyclopentane-1-carboxamide

(1S,3R,4R)-3-amino-N-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-4-hydroxycyclopentane-1-carboxamide (PubChem CID 154818526) has the molecular formula C16H18FN3O2S and a molecular weight of 335.40 g/mol. Its IUPAC name is (1S,3R,4R)-3-amino-N-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-4-hydroxycyclopentane-1-carboxamide.

Molecular Properties

Compound Name(1S,3R,4R)-3-amino-N-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-4-hydroxycyclopentane-1-carboxamide
PubChem CID154818526
Molecular FormulaC16H18FN3O2S
Molecular Weight335.40 g/mol
Exact Mass335.11
IUPAC Name(1S,3R,4R)-3-amino-N-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-4-hydroxycyclopentane-1-carboxamide
SMILESN[C@@H]1C[C@H](C(=O)NCc2nc(-c3ccc(F)cc3)cs2)C[C@H]1O
InChIInChI=1S/C16H18FN3O2S/c17-11-3-1-9(2-4-11)13-8-23-15(20-13)7-19-16(22)10-5-12(18)14(21)6-10/h1-4,8,10,12,14,21H,5-7,18H2,(H,19,22)/t10-,12+,14+/m0/s1
InChIKeyJRLXTCNIRXAAFK-ZKYQVNSYSA-N
XLogP1.66
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-fluorobenzoyl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide
CID 55663679
2-(4-fluorophenyl)-N-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]acetamide
CID 110393662
(1S,3R,4R)-3-amino-N-[2-(4-fluorophenyl)ethyl]-4-hydroxycyclopentane-1-carboxamide
CID 155494382
(1S,3R,4R)-3-amino-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4-hydroxycyclohexane-1-carboxamide;hydrochloride
CID 155939301
(1S,3S,4S)-3-amino-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-4-hydroxycyclopentane-1-carboxamide
CID 154818179
1-[2-(4-fluorophenyl)acetyl]-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]piperidine-3-carboxamide
CID 56586095
N-[[4-(3,4-dihydroxyphenyl)-1,3-thiazol-2-yl]methyl]cyclohexanecarboxamide
CID 110393760
N-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]methyl]-2-(4-fluorophenyl)acetamide
CID 110351804
N-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-2-methylpyrazole-3-carboxamide
CID 131931773
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]cyclobutanecarboxamide
CID 7733333
N-benzyl-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 133370734
N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110318230

Frequently Asked Questions

What is the IUPAC name of (1S,3R,4R)-3-amino-N-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-4-hydroxycyclopentane-1-carboxamide?
The IUPAC name of (1S,3R,4R)-3-amino-N-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-4-hydroxycyclopentane-1-carboxamide (CID 154818526) is (1S,3R,4R)-3-amino-N-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-4-hydroxycyclopentane-1-carboxamide.
What is the SMILES notation for (1S,3R,4R)-3-amino-N-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-4-hydroxycyclopentane-1-carboxamide?
The canonical SMILES for (1S,3R,4R)-3-amino-N-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-4-hydroxycyclopentane-1-carboxamide is N[C@@H]1C[C@H](C(=O)NCc2nc(-c3ccc(F)cc3)cs2)C[C@H]1O.
What is the InChIKey of (1S,3R,4R)-3-amino-N-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-4-hydroxycyclopentane-1-carboxamide?
The InChIKey is JRLXTCNIRXAAFK-ZKYQVNSYSA-N. The full InChI is InChI=1S/C16H18FN3O2S/c17-11-3-1-9(2-4-11)13-8-23-15(20-13)7-19-16(22)10-5-12(18)14(21)6-10/h1-4,8,10,12,14,21H,5-7,18H2,(H,19,22)/t10-,12+,14+/m0/s1.
What are the key properties of (1S,3R,4R)-3-amino-N-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-4-hydroxycyclopentane-1-carboxamide?
(1S,3R,4R)-3-amino-N-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-4-hydroxycyclopentane-1-carboxamide has a molecular weight of 335.40 g/mol, XLogP of 1.66, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R,4R)-3-amino-N-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-4-hydroxycyclopentane-1-carboxamide is sourced from PubChem (CID 154818526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).