N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]-1-methylsulfonylpiperidine-4-carboxamide

C20H27N3O3S2 — CID 17442649

IUPACN-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCCCc1ccc(-c2nc(NC(=O)C3CCN(S(C)(=O)=O)CC3)sc2C)cc1
InChIInChI=1S/C20H27N3O3S2/c1-4-5-15-6-8-16(9-7-15)18-14(2)27-20(21-18)22-19(24)17-10-12-23(13-11-17)28(3,25)26/h6-9,17H,4-5,10-13H2,1-3H3,(H,21,22,24)
InChIKeyNECSAIRMFNIFAN-UHFFFAOYSA-N
MW421.59 g/mol
LogP3.68
Rot. Bonds6

About N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]-1-methylsulfonylpiperidine-4-carboxamide

N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 17442649) has the molecular formula C20H27N3O3S2 and a molecular weight of 421.59 g/mol. Its IUPAC name is N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID17442649
Molecular FormulaC20H27N3O3S2
Molecular Weight421.59 g/mol
Exact Mass421.15
IUPAC NameN-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCCCc1ccc(-c2nc(NC(=O)C3CCN(S(C)(=O)=O)CC3)sc2C)cc1
InChIInChI=1S/C20H27N3O3S2/c1-4-5-15-6-8-16(9-7-15)18-14(2)27-20(21-18)22-19(24)17-10-12-23(13-11-17)28(3,25)26/h6-9,17H,4-5,10-13H2,1-3H3,(H,21,22,24)
InChIKeyNECSAIRMFNIFAN-UHFFFAOYSA-N
XLogP3.68
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.59
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(furan-2-carbonyl)-N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 46662231
trans-(1S,2S)-2-[[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 1231767
N-(6-butyl-1,3-benzothiazol-2-yl)-1-methylsulfonylpiperidine-4-carboxamide
CID 24603334
(1R,2R,3R,4R)-3-[[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 100690098
2-(methylamino)-N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide
CID 119681848
N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 16562066
2-amino-N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]-4-methylsulfonylbutanamide
CID 119955925
N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 26291752
1-(3,4-difluorophenyl)sulfonyl-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 26291637
(2S)-N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 2475120
1-acetyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 6464404
N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
CID 17498432

Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]-1-methylsulfonylpiperidine-4-carboxamide (CID 17442649) is N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]-1-methylsulfonylpiperidine-4-carboxamide is CCCc1ccc(-c2nc(NC(=O)C3CCN(S(C)(=O)=O)CC3)sc2C)cc1.
What is the InChIKey of N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is NECSAIRMFNIFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3S2/c1-4-5-15-6-8-16(9-7-15)18-14(2)27-20(21-18)22-19(24)17-10-12-23(13-11-17)28(3,25)26/h6-9,17H,4-5,10-13H2,1-3H3,(H,21,22,24).
What are the key properties of N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]-1-methylsulfonylpiperidine-4-carboxamide?
N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]-1-methylsulfonylpiperidine-4-carboxamide has a molecular weight of 421.59 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]-1-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 17442649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).