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

C14H18N4O3S3 — CID 11998676

IUPACN-[4-methyl-5-(5-piperazin-1-ylsulfonylthiophen-3-yl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(-c2csc(S(=O)(=O)N3CCNCC3)c2)s1
InChIInChI=1S/C14H18N4O3S3/c1-9-13(23-14(16-9)17-10(2)19)11-7-12(22-8-11)24(20,21)18-5-3-15-4-6-18/h7-8,15H,3-6H2,1-2H3,(H,16,17,19)
InChIKeyFDINLKDYSRNIQJ-UHFFFAOYSA-N
MW386.52 g/mol
LogP1.73
Rot. Bonds4

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

N-[4-methyl-5-(5-piperazin-1-ylsulfonylthiophen-3-yl)-1,3-thiazol-2-yl]acetamide (PubChem CID 11998676) has the molecular formula C14H18N4O3S3 and a molecular weight of 386.52 g/mol. Its IUPAC name is N-[4-methyl-5-(5-piperazin-1-ylsulfonylthiophen-3-yl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-methyl-5-(5-piperazin-1-ylsulfonylthiophen-3-yl)-1,3-thiazol-2-yl]acetamide
PubChem CID11998676
Molecular FormulaC14H18N4O3S3
Molecular Weight386.52 g/mol
Exact Mass386.05
IUPAC NameN-[4-methyl-5-(5-piperazin-1-ylsulfonylthiophen-3-yl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(-c2csc(S(=O)(=O)N3CCNCC3)c2)s1
InChIInChI=1S/C14H18N4O3S3/c1-9-13(23-14(16-9)17-10(2)19)11-7-12(22-8-11)24(20,21)18-5-3-15-4-6-18/h7-8,15H,3-6H2,1-2H3,(H,16,17,19)
InChIKeyFDINLKDYSRNIQJ-UHFFFAOYSA-N
XLogP1.73
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-methyl-5-[5-(4-methylpiperazin-1-yl)sulfonylthiophen-3-yl]-1,3-thiazol-2-yl]acetamide
CID 11998679
N-[5-[5-(4-hydroxypiperidin-1-yl)sulfonylthiophen-3-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
CID 11998799
N-[5-[5-(3-hydroxypyrrolidin-1-yl)sulfonylthiophen-3-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
CID 11998681
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-(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
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-[2-[(3-morpholin-4-ylsulfonylphenyl)methylamino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide
CID 90336138
N-[5-[1-(2,3-dichlorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
CID 176658442
N-[4-methyl-5-[2-(piperidine-1-carbonyl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide
CID 141164048
N-[5-[(4S)-1-(benzenesulfonyl)-4-methoxy-3,4-dihydro-2H-quinolin-6-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
CID 176658332
methyl 4-piperazin-1-ylsulfonylthiophene-2-carboxylate;hydrochloride
CID 119961681

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-5-(5-piperazin-1-ylsulfonylthiophen-3-yl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-methyl-5-(5-piperazin-1-ylsulfonylthiophen-3-yl)-1,3-thiazol-2-yl]acetamide (CID 11998676) is N-[4-methyl-5-(5-piperazin-1-ylsulfonylthiophen-3-yl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-methyl-5-(5-piperazin-1-ylsulfonylthiophen-3-yl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-methyl-5-(5-piperazin-1-ylsulfonylthiophen-3-yl)-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(C)c(-c2csc(S(=O)(=O)N3CCNCC3)c2)s1.
What is the InChIKey of N-[4-methyl-5-(5-piperazin-1-ylsulfonylthiophen-3-yl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is FDINLKDYSRNIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3S3/c1-9-13(23-14(16-9)17-10(2)19)11-7-12(22-8-11)24(20,21)18-5-3-15-4-6-18/h7-8,15H,3-6H2,1-2H3,(H,16,17,19).
What are the key properties of N-[4-methyl-5-(5-piperazin-1-ylsulfonylthiophen-3-yl)-1,3-thiazol-2-yl]acetamide?
N-[4-methyl-5-(5-piperazin-1-ylsulfonylthiophen-3-yl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 386.52 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-5-(5-piperazin-1-ylsulfonylthiophen-3-yl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 11998676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).