N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide

C20H25N3O3S2 — CID 4151155

IUPACN-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide
SMILESCOc1ccc(-c2nc(NC(=O)CSCC(=O)N3CCCCC3)sc2C)cc1
InChIInChI=1S/C20H25N3O3S2/c1-14-19(15-6-8-16(26-2)9-7-15)22-20(28-14)21-17(24)12-27-13-18(25)23-10-4-3-5-11-23/h6-9H,3-5,10-13H2,1-2H3,(H,21,22,24)
InChIKeyGLOJTHGOWPAJPD-UHFFFAOYSA-N
MW419.57 g/mol
LogP3.81
Rot. Bonds7

About N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide

N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide (PubChem CID 4151155) has the molecular formula C20H25N3O3S2 and a molecular weight of 419.57 g/mol. Its IUPAC name is N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide
PubChem CID4151155
Molecular FormulaC20H25N3O3S2
Molecular Weight419.57 g/mol
Exact Mass419.13
IUPAC NameN-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide
SMILESCOc1ccc(-c2nc(NC(=O)CSCC(=O)N3CCCCC3)sc2C)cc1
InChIInChI=1S/C20H25N3O3S2/c1-14-19(15-6-8-16(26-2)9-7-15)22-20(28-14)21-17(24)12-27-13-18(25)23-10-4-3-5-11-23/h6-9H,3-5,10-13H2,1-2H3,(H,21,22,24)
InChIKeyGLOJTHGOWPAJPD-UHFFFAOYSA-N
XLogP3.81
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.57
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanylacetamide
CID 4122784
ethyl 4-[2-[2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylacetyl]piperazine-1-carboxylate
CID 4153815
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2-oxopiperidin-1-yl)acetamide
CID 78861484
3-(4-methoxyphenoxy)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide
CID 2388192
3-(2,5-dimethoxyphenyl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide
CID 38041071
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-1-prop-2-ynylpiperidine-4-carboxamide
CID 60563304
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 4858996
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylacetamide
CID 4051688
2-[2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanyl-N-phenylacetamide
CID 1333647
N-[2-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 134028765
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)acetamide
CID 24524482
4-amino-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]butanamide;hydrochloride
CID 119264694

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide?
The IUPAC name of N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide (CID 4151155) is N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide.
What is the SMILES notation for N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide?
The canonical SMILES for N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide is COc1ccc(-c2nc(NC(=O)CSCC(=O)N3CCCCC3)sc2C)cc1.
What is the InChIKey of N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide?
The InChIKey is GLOJTHGOWPAJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S2/c1-14-19(15-6-8-16(26-2)9-7-15)22-20(28-14)21-17(24)12-27-13-18(25)23-10-4-3-5-11-23/h6-9H,3-5,10-13H2,1-2H3,(H,21,22,24).
What are the key properties of N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide?
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide has a molecular weight of 419.57 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide is sourced from PubChem (CID 4151155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).