N-[(1R,2S,3R,4R)-4-(3-fluorophenoxy)-3-hydroxy-2-(4-phenylpiperazin-1-yl)cyclopentyl]-1,3-thiazole-5-carboxamide

C25H27FN4O3S — CID 129453571

IUPACN-[(1R,2S,3R,4R)-4-(3-fluorophenoxy)-3-hydroxy-2-(4-phenylpiperazin-1-yl)cyclopentyl]-1,3-thiazole-5-carboxamide
SMILESO=C(N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1N1CCN(c2ccccc2)CC1)c1cncs1
InChIInChI=1S/C25H27FN4O3S/c26-17-5-4-8-19(13-17)33-21-14-20(28-25(32)22-15-27-16-34-22)23(24(21)31)30-11-9-29(10-12-30)18-6-2-1-3-7-18/h1-8,13,15-16,20-21,23-24,31H,9-12,14H2,(H,28,32)/t20-,21-,23+,24+/m1/s1
InChIKeyBBAPIBANUCEGTJ-HTDNTCHWSA-N
MW482.58 g/mol
LogP2.78
Rot. Bonds6

About N-[(1R,2S,3R,4R)-4-(3-fluorophenoxy)-3-hydroxy-2-(4-phenylpiperazin-1-yl)cyclopentyl]-1,3-thiazole-5-carboxamide

N-[(1R,2S,3R,4R)-4-(3-fluorophenoxy)-3-hydroxy-2-(4-phenylpiperazin-1-yl)cyclopentyl]-1,3-thiazole-5-carboxamide (PubChem CID 129453571) has the molecular formula C25H27FN4O3S and a molecular weight of 482.58 g/mol. Its IUPAC name is N-[(1R,2S,3R,4R)-4-(3-fluorophenoxy)-3-hydroxy-2-(4-phenylpiperazin-1-yl)cyclopentyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1R,2S,3R,4R)-4-(3-fluorophenoxy)-3-hydroxy-2-(4-phenylpiperazin-1-yl)cyclopentyl]-1,3-thiazole-5-carboxamide
PubChem CID129453571
Molecular FormulaC25H27FN4O3S
Molecular Weight482.58 g/mol
Exact Mass482.18
IUPAC NameN-[(1R,2S,3R,4R)-4-(3-fluorophenoxy)-3-hydroxy-2-(4-phenylpiperazin-1-yl)cyclopentyl]-1,3-thiazole-5-carboxamide
SMILESO=C(N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1N1CCN(c2ccccc2)CC1)c1cncs1
InChIInChI=1S/C25H27FN4O3S/c26-17-5-4-8-19(13-17)33-21-14-20(28-25(32)22-15-27-16-34-22)23(24(21)31)30-11-9-29(10-12-30)18-6-2-1-3-7-18/h1-8,13,15-16,20-21,23-24,31H,9-12,14H2,(H,28,32)/t20-,21-,23+,24+/m1/s1
InChIKeyBBAPIBANUCEGTJ-HTDNTCHWSA-N
XLogP2.78
TPSA77.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.58
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-amino-N-[(1R,2S,3R,4R)-4-(3-fluorophenoxy)-3-hydroxy-2-(4-phenylpiperazin-1-yl)cyclopentyl]acetamide
CID 110158548
N-[(1R,2S,3R,4R)-2-(dimethylamino)-4-(3-fluorophenoxy)-3-hydroxycyclopentyl]-1,3-thiazole-5-carboxamide
CID 110157911
N-[(1R,2S,3R,4R)-4-(3-fluorophenoxy)-3-hydroxy-2-pyrrolidin-1-ylcyclopentyl]-3-methylimidazole-4-carboxamide
CID 155901233
[(1R,2S,3R,4R)-4-(3-fluorophenoxy)-3-hydroxy-2-(4-hydroxypiperidin-1-yl)cyclopentyl]urea
CID 110157524
4-fluoro-N-[(1R,2S,3R,4R)-3-hydroxy-2-(4-hydroxypiperidin-1-yl)-4-phenoxycyclopentyl]benzamide
CID 110157992
N-[(1R,2S,3R,4R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(3-fluorophenoxy)-3-hydroxycyclopentyl]-2-methyl-1,3-oxazole-4-carboxamide
CID 110155539
N-[(1R,2S,3R,4R)-3-hydroxy-4-(3-methoxyphenoxy)-2-piperidin-1-ylcyclopentyl]pyridine-3-carboxamide
CID 110157415
(1R,2S,3R,5R)-3-amino-2-(4-phenylpiperazin-1-yl)-5-pyridin-3-yloxycyclopentan-1-ol
CID 110157304
N-[(1R,2S,3R,4R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-(3-fluorophenoxy)-3-hydroxycyclopentyl]-3-pyridin-3-ylpropanamide
CID 110076559
N-[(1R,2S,3R,4R)-3-hydroxy-2-morpholin-4-yl-4-pyridin-3-yloxycyclopentyl]pyridine-3-carboxamide
CID 110157411
N-[(1R,2S,3R,4R)-3-hydroxy-4-phenoxy-2-piperidin-1-ylcyclopentyl]-3-methoxybenzamide
CID 110153321
3-amino-N-[(1R,2S,3R,4R)-2-(4-tert-butylpiperidin-1-yl)-4-(3-fluorophenoxy)-3-hydroxycyclopentyl]propanamide
CID 110158540

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S,3R,4R)-4-(3-fluorophenoxy)-3-hydroxy-2-(4-phenylpiperazin-1-yl)cyclopentyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(1R,2S,3R,4R)-4-(3-fluorophenoxy)-3-hydroxy-2-(4-phenylpiperazin-1-yl)cyclopentyl]-1,3-thiazole-5-carboxamide (CID 129453571) is N-[(1R,2S,3R,4R)-4-(3-fluorophenoxy)-3-hydroxy-2-(4-phenylpiperazin-1-yl)cyclopentyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(1R,2S,3R,4R)-4-(3-fluorophenoxy)-3-hydroxy-2-(4-phenylpiperazin-1-yl)cyclopentyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(1R,2S,3R,4R)-4-(3-fluorophenoxy)-3-hydroxy-2-(4-phenylpiperazin-1-yl)cyclopentyl]-1,3-thiazole-5-carboxamide is O=C(N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1N1CCN(c2ccccc2)CC1)c1cncs1.
What is the InChIKey of N-[(1R,2S,3R,4R)-4-(3-fluorophenoxy)-3-hydroxy-2-(4-phenylpiperazin-1-yl)cyclopentyl]-1,3-thiazole-5-carboxamide?
The InChIKey is BBAPIBANUCEGTJ-HTDNTCHWSA-N. The full InChI is InChI=1S/C25H27FN4O3S/c26-17-5-4-8-19(13-17)33-21-14-20(28-25(32)22-15-27-16-34-22)23(24(21)31)30-11-9-29(10-12-30)18-6-2-1-3-7-18/h1-8,13,15-16,20-21,23-24,31H,9-12,14H2,(H,28,32)/t20-,21-,23+,24+/m1/s1.
What are the key properties of N-[(1R,2S,3R,4R)-4-(3-fluorophenoxy)-3-hydroxy-2-(4-phenylpiperazin-1-yl)cyclopentyl]-1,3-thiazole-5-carboxamide?
N-[(1R,2S,3R,4R)-4-(3-fluorophenoxy)-3-hydroxy-2-(4-phenylpiperazin-1-yl)cyclopentyl]-1,3-thiazole-5-carboxamide has a molecular weight of 482.58 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S,3R,4R)-4-(3-fluorophenoxy)-3-hydroxy-2-(4-phenylpiperazin-1-yl)cyclopentyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 129453571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).