N-[1-[[4-([1,3]thiazolo[5,4-b]pyridin-2-yloxy)phenyl]methyl]piperidin-4-yl]prop-2-enamide

C21H22N4O2S — CID 146256746

IUPACN-[1-[[4-([1,3]thiazolo[5,4-b]pyridin-2-yloxy)phenyl]methyl]piperidin-4-yl]prop-2-enamide
SMILESC=CC(=O)NC1CCN(Cc2ccc(Oc3nc4cccnc4s3)cc2)CC1
InChIInChI=1S/C21H22N4O2S/c1-2-19(26)23-16-9-12-25(13-10-16)14-15-5-7-17(8-6-15)27-21-24-18-4-3-11-22-20(18)28-21/h2-8,11,16H,1,9-10,12-14H2,(H,23,26)
InChIKeySKFITGYOGNKZNK-UHFFFAOYSA-N
MW394.50 g/mol
LogP3.75
Rot. Bonds6

About N-[1-[[4-([1,3]thiazolo[5,4-b]pyridin-2-yloxy)phenyl]methyl]piperidin-4-yl]prop-2-enamide

N-[1-[[4-([1,3]thiazolo[5,4-b]pyridin-2-yloxy)phenyl]methyl]piperidin-4-yl]prop-2-enamide (PubChem CID 146256746) has the molecular formula C21H22N4O2S and a molecular weight of 394.50 g/mol. Its IUPAC name is N-[1-[[4-([1,3]thiazolo[5,4-b]pyridin-2-yloxy)phenyl]methyl]piperidin-4-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[1-[[4-([1,3]thiazolo[5,4-b]pyridin-2-yloxy)phenyl]methyl]piperidin-4-yl]prop-2-enamide
PubChem CID146256746
Molecular FormulaC21H22N4O2S
Molecular Weight394.50 g/mol
Exact Mass394.15
IUPAC NameN-[1-[[4-([1,3]thiazolo[5,4-b]pyridin-2-yloxy)phenyl]methyl]piperidin-4-yl]prop-2-enamide
SMILESC=CC(=O)NC1CCN(Cc2ccc(Oc3nc4cccnc4s3)cc2)CC1
InChIInChI=1S/C21H22N4O2S/c1-2-19(26)23-16-9-12-25(13-10-16)14-15-5-7-17(8-6-15)27-21-24-18-4-3-11-22-20(18)28-21/h2-8,11,16H,1,9-10,12-14H2,(H,23,26)
InChIKeySKFITGYOGNKZNK-UHFFFAOYSA-N
XLogP3.75
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-[1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidin-4-yl]-1,1-dimethylurea
CID 59989169
ethyl N-[1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidin-4-yl]carbamate
CID 59989101
N-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]prop-2-enamide
CID 155353721
N-[(1R,3R)-3-[[4-(morpholin-4-ylmethyl)-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)-2-pyridinyl]amino]cyclohexyl]prop-2-enamide
CID 56941430
1-[1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidin-4-yl]-3-ethylthiourea
CID 59989113
N-(1-benzylpiperidin-4-yl)-4-oxo-4-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]butanamide
CID 53084551
1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidine-4-carboxamide;dihydrochloride
CID 69147289
N-[1-[[4-[2-(2-amino-3-pyridinyl)-5-methylimidazo[4,5-b]pyridin-3-yl]phenyl]methyl]piperidin-4-yl]prop-2-enamide
CID 171563459
2-[4-[(4-pyrazin-2-yloxypiperidin-1-yl)methyl]phenoxy]-[1,3]thiazolo[4,5-b]pyridine
CID 58382734
1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidin-4-amine
CID 11279222
N-[1-[[4-(trifluoromethylsulfonyl)phenyl]methyl]piperidin-4-yl]prop-2-enamide
CID 155344254
4-[1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidin-4-yl]butanoic acid
CID 91542676

Frequently Asked Questions

What is the IUPAC name of N-[1-[[4-([1,3]thiazolo[5,4-b]pyridin-2-yloxy)phenyl]methyl]piperidin-4-yl]prop-2-enamide?
The IUPAC name of N-[1-[[4-([1,3]thiazolo[5,4-b]pyridin-2-yloxy)phenyl]methyl]piperidin-4-yl]prop-2-enamide (CID 146256746) is N-[1-[[4-([1,3]thiazolo[5,4-b]pyridin-2-yloxy)phenyl]methyl]piperidin-4-yl]prop-2-enamide.
What is the SMILES notation for N-[1-[[4-([1,3]thiazolo[5,4-b]pyridin-2-yloxy)phenyl]methyl]piperidin-4-yl]prop-2-enamide?
The canonical SMILES for N-[1-[[4-([1,3]thiazolo[5,4-b]pyridin-2-yloxy)phenyl]methyl]piperidin-4-yl]prop-2-enamide is C=CC(=O)NC1CCN(Cc2ccc(Oc3nc4cccnc4s3)cc2)CC1.
What is the InChIKey of N-[1-[[4-([1,3]thiazolo[5,4-b]pyridin-2-yloxy)phenyl]methyl]piperidin-4-yl]prop-2-enamide?
The InChIKey is SKFITGYOGNKZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2S/c1-2-19(26)23-16-9-12-25(13-10-16)14-15-5-7-17(8-6-15)27-21-24-18-4-3-11-22-20(18)28-21/h2-8,11,16H,1,9-10,12-14H2,(H,23,26).
What are the key properties of N-[1-[[4-([1,3]thiazolo[5,4-b]pyridin-2-yloxy)phenyl]methyl]piperidin-4-yl]prop-2-enamide?
N-[1-[[4-([1,3]thiazolo[5,4-b]pyridin-2-yloxy)phenyl]methyl]piperidin-4-yl]prop-2-enamide has a molecular weight of 394.50 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[4-([1,3]thiazolo[5,4-b]pyridin-2-yloxy)phenyl]methyl]piperidin-4-yl]prop-2-enamide is sourced from PubChem (CID 146256746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).