N-[5-[5-(4-hydroxypiperidin-1-yl)sulfonylthiophen-3-yl]-4-methyl-1,3-thiazol-2-yl]acetamide

C15H19N3O4S3 — CID 11998799

IUPACN-[5-[5-(4-hydroxypiperidin-1-yl)sulfonylthiophen-3-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(-c2csc(S(=O)(=O)N3CCC(O)CC3)c2)s1
InChIInChI=1S/C15H19N3O4S3/c1-9-14(24-15(16-9)17-10(2)19)11-7-13(23-8-11)25(21,22)18-5-3-12(20)4-6-18/h7-8,12,20H,3-6H2,1-2H3,(H,16,17,19)
InChIKeyVBMUBUWWWIVXAC-UHFFFAOYSA-N
MW401.54 g/mol
LogP2.28
Rot. Bonds4

About N-[5-[5-(4-hydroxypiperidin-1-yl)sulfonylthiophen-3-yl]-4-methyl-1,3-thiazol-2-yl]acetamide

N-[5-[5-(4-hydroxypiperidin-1-yl)sulfonylthiophen-3-yl]-4-methyl-1,3-thiazol-2-yl]acetamide (PubChem CID 11998799) has the molecular formula C15H19N3O4S3 and a molecular weight of 401.54 g/mol. Its IUPAC name is N-[5-[5-(4-hydroxypiperidin-1-yl)sulfonylthiophen-3-yl]-4-methyl-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[5-(4-hydroxypiperidin-1-yl)sulfonylthiophen-3-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
PubChem CID11998799
Molecular FormulaC15H19N3O4S3
Molecular Weight401.54 g/mol
Exact Mass401.05
IUPAC NameN-[5-[5-(4-hydroxypiperidin-1-yl)sulfonylthiophen-3-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(-c2csc(S(=O)(=O)N3CCC(O)CC3)c2)s1
InChIInChI=1S/C15H19N3O4S3/c1-9-14(24-15(16-9)17-10(2)19)11-7-13(23-8-11)25(21,22)18-5-3-12(20)4-6-18/h7-8,12,20H,3-6H2,1-2H3,(H,16,17,19)
InChIKeyVBMUBUWWWIVXAC-UHFFFAOYSA-N
XLogP2.28
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.54
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-[5-(3-hydroxypyrrolidin-1-yl)sulfonylthiophen-3-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
CID 11998681
N-[4-methyl-5-[5-(4-methylpiperazin-1-yl)sulfonylthiophen-3-yl]-1,3-thiazol-2-yl]acetamide
CID 11998679
N-[5-[5-(3-hydroxypiperidin-1-yl)sulfonylthiophen-3-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
CID 11999019
N-[4-methyl-5-(5-piperazin-1-ylsulfonylthiophen-3-yl)-1,3-thiazol-2-yl]acetamide
CID 11998676
4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-5-bromothiophene-2-sulfonyl chloride;N-[5-[2-bromo-5-(3-hydroxypyrrolidin-1-yl)sulfonylthiophen-3-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
CID 161222465
N-[4-methyl-5-[5-(2-morpholin-4-ylethylsulfamoyl)thiophen-3-yl]-1,3-thiazol-2-yl]acetamide
CID 11998674
N-[4-methyl-5-[5-(prop-2-enylsulfamoyl)thiophen-3-yl]-1,3-thiazol-2-yl]acetamide
CID 11999020
5-(4-hydroxypiperidin-1-yl)sulfonylthiophene-3-carboxylic acid
CID 29289552
N-[5-[(1E,3Z)-2-[3-(4-hydroxypiperidin-1-yl)sulfonylphenyl]penta-1,3-dienyl]-4-methyl-1,3-thiazol-2-yl]acetamide
CID 89034768
N-[5-[3-(3-hydroxypyrrolidin-1-yl)sulfonyl-4-methoxyphenyl]-4-methyl-1,3-thiazol-2-yl]cyclopentanecarboxamide
CID 78108205
N-[[1-(4-aminothiophen-2-yl)sulfonylpiperidin-4-yl]methyl]acetamide
CID 102735864
N-[5-[(4S)-1-(benzenesulfonyl)-4-methoxy-3,4-dihydro-2H-quinolin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
CID 176658332

Frequently Asked Questions

What is the IUPAC name of N-[5-[5-(4-hydroxypiperidin-1-yl)sulfonylthiophen-3-yl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[5-(4-hydroxypiperidin-1-yl)sulfonylthiophen-3-yl]-4-methyl-1,3-thiazol-2-yl]acetamide (CID 11998799) is N-[5-[5-(4-hydroxypiperidin-1-yl)sulfonylthiophen-3-yl]-4-methyl-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[5-(4-hydroxypiperidin-1-yl)sulfonylthiophen-3-yl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[5-(4-hydroxypiperidin-1-yl)sulfonylthiophen-3-yl]-4-methyl-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(C)c(-c2csc(S(=O)(=O)N3CCC(O)CC3)c2)s1.
What is the InChIKey of N-[5-[5-(4-hydroxypiperidin-1-yl)sulfonylthiophen-3-yl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The InChIKey is VBMUBUWWWIVXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4S3/c1-9-14(24-15(16-9)17-10(2)19)11-7-13(23-8-11)25(21,22)18-5-3-12(20)4-6-18/h7-8,12,20H,3-6H2,1-2H3,(H,16,17,19).
What are the key properties of N-[5-[5-(4-hydroxypiperidin-1-yl)sulfonylthiophen-3-yl]-4-methyl-1,3-thiazol-2-yl]acetamide?
N-[5-[5-(4-hydroxypiperidin-1-yl)sulfonylthiophen-3-yl]-4-methyl-1,3-thiazol-2-yl]acetamide has a molecular weight of 401.54 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-(4-hydroxypiperidin-1-yl)sulfonylthiophen-3-yl]-4-methyl-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 11998799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).