4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]butanamide

C21H33N5O2S — CID 46445802

IUPAC4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]butanamide
SMILESCC1CC(C)CN(Cc2csc(NC(=O)CCCc3nc(C(C)(C)C)no3)n2)C1
InChIInChI=1S/C21H33N5O2S/c1-14-9-15(2)11-26(10-14)12-16-13-29-20(22-16)23-17(27)7-6-8-18-24-19(25-28-18)21(3,4)5/h13-15H,6-12H2,1-5H3,(H,22,23,27)
InChIKeyGCEZXCLGEZOUTA-UHFFFAOYSA-N
MW419.60 g/mol
LogP4.26
Rot. Bonds7

About 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]butanamide

4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]butanamide (PubChem CID 46445802) has the molecular formula C21H33N5O2S and a molecular weight of 419.60 g/mol. Its IUPAC name is 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]butanamide.

Molecular Properties

Compound Name4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]butanamide
PubChem CID46445802
Molecular FormulaC21H33N5O2S
Molecular Weight419.60 g/mol
Exact Mass419.24
IUPAC Name4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]butanamide
SMILESCC1CC(C)CN(Cc2csc(NC(=O)CCCc3nc(C(C)(C)C)no3)n2)C1
InChIInChI=1S/C21H33N5O2S/c1-14-9-15(2)11-26(10-14)12-16-13-29-20(22-16)23-17(27)7-6-8-18-24-19(25-28-18)21(3,4)5/h13-15H,6-12H2,1-5H3,(H,22,23,27)
InChIKeyGCEZXCLGEZOUTA-UHFFFAOYSA-N
XLogP4.26
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.60
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 42933434
ethyl 2-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoylamino]-1,3-thiazole-4-carboxylate
CID 55667243
N-[4-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]amino]-4-oxobutyl]cyclopropanecarboxamide
CID 46430396
N-[4-[[(3S,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-3-(pyrimidin-2-ylamino)propanamide
CID 51959514
N-[4-[[4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]amino]-4-oxobutyl]furan-2-carboxamide
CID 30190106
3-(1,3-benzodioxol-5-yl)-N-[4-[[(3S,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]propanamide
CID 30192815
N-[3-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide
CID 42933420
N-[4-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]amino]-4-oxobutyl]-2,2-dimethylpropanamide
CID 55519150
4-amino-N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]butanamide;dihydrochloride
CID 119840495
3,3-dimethyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]butanamide
CID 51298761
N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-4-thiophen-2-ylbutanamide
CID 30185272
N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 30216368

Frequently Asked Questions

What is the IUPAC name of 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]butanamide?
The IUPAC name of 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]butanamide (CID 46445802) is 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]butanamide.
What is the SMILES notation for 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]butanamide?
The canonical SMILES for 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]butanamide is CC1CC(C)CN(Cc2csc(NC(=O)CCCc3nc(C(C)(C)C)no3)n2)C1.
What is the InChIKey of 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]butanamide?
The InChIKey is GCEZXCLGEZOUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N5O2S/c1-14-9-15(2)11-26(10-14)12-16-13-29-20(22-16)23-17(27)7-6-8-18-24-19(25-28-18)21(3,4)5/h13-15H,6-12H2,1-5H3,(H,22,23,27).
What are the key properties of 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]butanamide?
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]butanamide has a molecular weight of 419.60 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[4-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]butanamide is sourced from PubChem (CID 46445802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).