(2R)-N-(4-methoxyphenyl)-2-phenyl-2-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]acetamide

C25H25N5O2S — CID 95287350

IUPAC(2R)-N-(4-methoxyphenyl)-2-phenyl-2-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]acetamide
SMILESCOc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCN(c3nc4cccnc4s3)CC2)cc1
InChIInChI=1S/C25H25N5O2S/c1-32-20-11-9-19(10-12-20)27-23(31)22(18-6-3-2-4-7-18)29-14-16-30(17-15-29)25-28-21-8-5-13-26-24(21)33-25/h2-13,22H,14-17H2,1H3,(H,27,31)/t22-/m1/s1
InChIKeyKVLFDKVEEWAXJB-JOCHJYFZSA-N
MW459.58 g/mol
LogP4.20
Rot. Bonds6

About (2R)-N-(4-methoxyphenyl)-2-phenyl-2-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]acetamide

(2R)-N-(4-methoxyphenyl)-2-phenyl-2-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]acetamide (PubChem CID 95287350) has the molecular formula C25H25N5O2S and a molecular weight of 459.58 g/mol. Its IUPAC name is (2R)-N-(4-methoxyphenyl)-2-phenyl-2-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]acetamide.

Molecular Properties

Compound Name(2R)-N-(4-methoxyphenyl)-2-phenyl-2-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]acetamide
PubChem CID95287350
Molecular FormulaC25H25N5O2S
Molecular Weight459.58 g/mol
Exact Mass459.17
IUPAC Name(2R)-N-(4-methoxyphenyl)-2-phenyl-2-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]acetamide
SMILESCOc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCN(c3nc4cccnc4s3)CC2)cc1
InChIInChI=1S/C25H25N5O2S/c1-32-20-11-9-19(10-12-20)27-23(31)22(18-6-3-2-4-7-18)29-14-16-30(17-15-29)25-28-21-8-5-13-26-24(21)33-25/h2-13,22H,14-17H2,1H3,(H,27,31)/t22-/m1/s1
InChIKeyKVLFDKVEEWAXJB-JOCHJYFZSA-N
XLogP4.20
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.58
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-methoxyphenyl)-4-oxo-4-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)-1,4-diazepan-1-yl]butanamide
CID 53111680
N-(3-methoxyphenyl)-2-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 4880356
N-(4-fluorophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-phenylacetamide
CID 46561400
(3S,4S)-1-[2-(4-methoxyanilino)-2-oxo-1-phenylethyl]-4-methylpyrrolidine-3-carboxylic acid
CID 122120648
ethyl (3S)-3-phenyl-3-[[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazine-1-carbonyl]amino]propanoate
CID 95073065
N,2-diphenyl-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)acetamide
CID 78847132
1-(1,3-benzothiazol-2-yl)-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 43815632
N-(3-methoxyphenyl)-2-phenyl-2-(4-pyridazin-3-yl-1,4-diazepan-1-yl)acetamide
CID 86894407
ethyl 2-[4-[[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazine-1-carbonyl]amino]phenyl]acetate
CID 53084404
N-(3,5-dimethoxyphenyl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide
CID 53007595
N-(4-hydroxyphenyl)-2-(4-methoxyphenyl)-2-piperazin-1-ylacetamide
CID 171716410
N-(4-methoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)butanamide
CID 17455607

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-methoxyphenyl)-2-phenyl-2-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]acetamide?
The IUPAC name of (2R)-N-(4-methoxyphenyl)-2-phenyl-2-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]acetamide (CID 95287350) is (2R)-N-(4-methoxyphenyl)-2-phenyl-2-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]acetamide.
What is the SMILES notation for (2R)-N-(4-methoxyphenyl)-2-phenyl-2-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]acetamide?
The canonical SMILES for (2R)-N-(4-methoxyphenyl)-2-phenyl-2-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]acetamide is COc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCN(c3nc4cccnc4s3)CC2)cc1.
What is the InChIKey of (2R)-N-(4-methoxyphenyl)-2-phenyl-2-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]acetamide?
The InChIKey is KVLFDKVEEWAXJB-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H25N5O2S/c1-32-20-11-9-19(10-12-20)27-23(31)22(18-6-3-2-4-7-18)29-14-16-30(17-15-29)25-28-21-8-5-13-26-24(21)33-25/h2-13,22H,14-17H2,1H3,(H,27,31)/t22-/m1/s1.
What are the key properties of (2R)-N-(4-methoxyphenyl)-2-phenyl-2-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]acetamide?
(2R)-N-(4-methoxyphenyl)-2-phenyl-2-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]acetamide has a molecular weight of 459.58 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-methoxyphenyl)-2-phenyl-2-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]acetamide is sourced from PubChem (CID 95287350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).