N-[4-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]-3-(2-oxopiperidin-1-yl)propanamide

C21H27N3O3S — CID 156585543

IUPACN-[4-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]-3-(2-oxopiperidin-1-yl)propanamide
SMILESCOc1cc(C)c(-c2nc(NC(=O)CCN3CCCCC3=O)sc2C)cc1C
InChIInChI=1S/C21H27N3O3S/c1-13-12-17(27-4)14(2)11-16(13)20-15(3)28-21(23-20)22-18(25)8-10-24-9-6-5-7-19(24)26/h11-12H,5-10H2,1-4H3,(H,22,23,25)
InChIKeyAMYJMDGQPMTFBY-UHFFFAOYSA-N
MW401.53 g/mol
LogP4.09
Rot. Bonds6

About N-[4-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]-3-(2-oxopiperidin-1-yl)propanamide

N-[4-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]-3-(2-oxopiperidin-1-yl)propanamide (PubChem CID 156585543) has the molecular formula C21H27N3O3S and a molecular weight of 401.53 g/mol. Its IUPAC name is N-[4-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]-3-(2-oxopiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-[4-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]-3-(2-oxopiperidin-1-yl)propanamide
PubChem CID156585543
Molecular FormulaC21H27N3O3S
Molecular Weight401.53 g/mol
Exact Mass401.18
IUPAC NameN-[4-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]-3-(2-oxopiperidin-1-yl)propanamide
SMILESCOc1cc(C)c(-c2nc(NC(=O)CCN3CCCCC3=O)sc2C)cc1C
InChIInChI=1S/C21H27N3O3S/c1-13-12-17(27-4)14(2)11-16(13)20-15(3)28-21(23-20)22-18(25)8-10-24-9-6-5-7-19(24)26/h11-12H,5-10H2,1-4H3,(H,22,23,25)
InChIKeyAMYJMDGQPMTFBY-UHFFFAOYSA-N
XLogP4.09
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.53
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2-oxopiperidin-1-yl)acetamide;formic acid
CID 163340575
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2-oxopiperidin-1-yl)acetamide
CID 78861484
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2-oxopiperidin-1-yl)acetamide
CID 78867878
N-(4-methoxy-3-methylphenyl)-2-(2-oxopiperidin-1-yl)acetamide
CID 87032394
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-(2-oxopiperidin-1-yl)acetamide
CID 78886465
N-(6-fluoro-4-methoxy-1,3-benzothiazol-2-yl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 122157683
N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-3-(2-oxoazepan-1-yl)propanamide
CID 91796913
N-[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]-3-(4-nitro-1,3-dioxoisoindol-2-yl)propanamide
CID 108738222
N-(7-methoxy-8-methyl-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)acetamide
CID 769130
3-amino-N-[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide
CID 39183433
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-(2-oxo-1,3-oxazolidin-3-yl)propanamide
CID 51092008
3-(2,5-dimethoxyphenyl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide
CID 38041071

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]-3-(2-oxopiperidin-1-yl)propanamide?
The IUPAC name of N-[4-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]-3-(2-oxopiperidin-1-yl)propanamide (CID 156585543) is N-[4-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]-3-(2-oxopiperidin-1-yl)propanamide.
What is the SMILES notation for N-[4-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]-3-(2-oxopiperidin-1-yl)propanamide?
The canonical SMILES for N-[4-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]-3-(2-oxopiperidin-1-yl)propanamide is COc1cc(C)c(-c2nc(NC(=O)CCN3CCCCC3=O)sc2C)cc1C.
What is the InChIKey of N-[4-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]-3-(2-oxopiperidin-1-yl)propanamide?
The InChIKey is AMYJMDGQPMTFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3S/c1-13-12-17(27-4)14(2)11-16(13)20-15(3)28-21(23-20)22-18(25)8-10-24-9-6-5-7-19(24)26/h11-12H,5-10H2,1-4H3,(H,22,23,25).
What are the key properties of N-[4-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]-3-(2-oxopiperidin-1-yl)propanamide?
N-[4-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]-3-(2-oxopiperidin-1-yl)propanamide has a molecular weight of 401.53 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]-3-(2-oxopiperidin-1-yl)propanamide is sourced from PubChem (CID 156585543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).