N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-6-methylpyridine-3-carboxamide

C24H30N6O3S — CID 3813184

IUPACN-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2nnc(C(C)(C)C)s2)c(C2CCN(C(=O)c3c(C)noc3C)CC2)n1
InChIInChI=1S/C24H30N6O3S/c1-13-7-8-17(20(31)26-23-28-27-22(34-23)24(4,5)6)19(25-13)16-9-11-30(12-10-16)21(32)18-14(2)29-33-15(18)3/h7-8,16H,9-12H2,1-6H3,(H,26,28,31)
InChIKeyGPTYICOWYDOFTA-UHFFFAOYSA-N
MW482.61 g/mol
LogP4.42
Rot. Bonds4

About N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-6-methylpyridine-3-carboxamide

N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-6-methylpyridine-3-carboxamide (PubChem CID 3813184) has the molecular formula C24H30N6O3S and a molecular weight of 482.61 g/mol. Its IUPAC name is N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-6-methylpyridine-3-carboxamide
PubChem CID3813184
Molecular FormulaC24H30N6O3S
Molecular Weight482.61 g/mol
Exact Mass482.21
IUPAC NameN-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2nnc(C(C)(C)C)s2)c(C2CCN(C(=O)c3c(C)noc3C)CC2)n1
InChIInChI=1S/C24H30N6O3S/c1-13-7-8-17(20(31)26-23-28-27-22(34-23)24(4,5)6)19(25-13)16-9-11-30(12-10-16)21(32)18-14(2)29-33-15(18)3/h7-8,16H,9-12H2,1-6H3,(H,26,28,31)
InChIKeyGPTYICOWYDOFTA-UHFFFAOYSA-N
XLogP4.42
TPSA114.11 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.61
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[1-(cyclohex-3-ene-1-carbonyl)piperidin-4-yl]-6-methylpyridine-3-carboxamide
CID 3750131
2-[1-(1-adamantylcarbamoyl)piperidin-4-yl]-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-6-methylpyridine-3-carboxamide
CID 3355267
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[1-(5-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]-6-methylpyridine-3-carboxamide
CID 3686790
[2-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-6-methyl-3-pyridinyl]-(1,3-thiazolidin-3-yl)methanone
CID 3716711
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-6-methyl-2-[1-[2-(3-nitrophenyl)acetyl]piperidin-4-yl]pyridine-3-carboxamide
CID 3861406
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[1-[3-(1H-indol-3-yl)prop-2-enoyl]piperidin-4-yl]-6-methylpyridine-3-carboxamide
CID 3702689
2-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-6-methyl-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 3402659
[(3R)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 124967024
[4-[2-(cyclopropylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 46962305
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-6-cyclopropyl-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 55908456
2-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-6-methyl-N-phenylpyridine-3-carboxamide
CID 46044675
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CID 138009760

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-6-methylpyridine-3-carboxamide?
The IUPAC name of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-6-methylpyridine-3-carboxamide (CID 3813184) is N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-6-methylpyridine-3-carboxamide is Cc1ccc(C(=O)Nc2nnc(C(C)(C)C)s2)c(C2CCN(C(=O)c3c(C)noc3C)CC2)n1.
What is the InChIKey of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-6-methylpyridine-3-carboxamide?
The InChIKey is GPTYICOWYDOFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O3S/c1-13-7-8-17(20(31)26-23-28-27-22(34-23)24(4,5)6)19(25-13)16-9-11-30(12-10-16)21(32)18-14(2)29-33-15(18)3/h7-8,16H,9-12H2,1-6H3,(H,26,28,31).
What are the key properties of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-6-methylpyridine-3-carboxamide?
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-6-methylpyridine-3-carboxamide has a molecular weight of 482.61 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 3813184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).