N-[4-[4-(4-tert-butyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-2-pyridinyl]-2-methylpropanamide

C22H30N4O2S — CID 138994808

IUPACN-[4-[4-(4-tert-butyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-2-pyridinyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cc(C(=O)N2CCC(c3nc(C(C)(C)C)cs3)CC2)ccn1
InChIInChI=1S/C22H30N4O2S/c1-14(2)19(27)25-18-12-16(6-9-23-18)21(28)26-10-7-15(8-11-26)20-24-17(13-29-20)22(3,4)5/h6,9,12-15H,7-8,10-11H2,1-5H3,(H,23,25,27)
InChIKeyUFEHCQNVRSECAU-UHFFFAOYSA-N
MW414.58 g/mol
LogP4.45
Rot. Bonds4

About N-[4-[4-(4-tert-butyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-2-pyridinyl]-2-methylpropanamide

N-[4-[4-(4-tert-butyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-2-pyridinyl]-2-methylpropanamide (PubChem CID 138994808) has the molecular formula C22H30N4O2S and a molecular weight of 414.58 g/mol. Its IUPAC name is N-[4-[4-(4-tert-butyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-2-pyridinyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-[4-(4-tert-butyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-2-pyridinyl]-2-methylpropanamide
PubChem CID138994808
Molecular FormulaC22H30N4O2S
Molecular Weight414.58 g/mol
Exact Mass414.21
IUPAC NameN-[4-[4-(4-tert-butyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-2-pyridinyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cc(C(=O)N2CCC(c3nc(C(C)(C)C)cs3)CC2)ccn1
InChIInChI=1S/C22H30N4O2S/c1-14(2)19(27)25-18-12-16(6-9-23-18)21(28)26-10-7-15(8-11-26)20-24-17(13-29-20)22(3,4)5/h6,9,12-15H,7-8,10-11H2,1-5H3,(H,23,25,27)
InChIKeyUFEHCQNVRSECAU-UHFFFAOYSA-N
XLogP4.45
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.58
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[4-(4-tert-butyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-oxopropyl]acetamide
CID 71931180
tert-butyl 2-[4-(4-tert-butyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]benzoate
CID 4996955
[4-(4-tert-butyl-1,3-thiazol-2-yl)piperidin-1-yl]-(2-pyrazin-2-yl-1,3-thiazol-4-yl)methanone
CID 3854483
[4-(4-tert-butyl-1,3-thiazol-2-yl)piperidin-1-yl]-[1-[(4-chlorophenyl)methyl]-5-methylimidazol-4-yl]methanone
CID 5224653
4-(4-tert-butyl-1,3-thiazol-2-yl)-N-(3-methyl-1,2-oxazol-4-yl)piperidine-1-carboxamide
CID 138025615
4-(4-tert-butyl-1,3-thiazol-2-yl)-N-(5-chloro-2,4-dimethoxyphenyl)piperidine-1-carboxamide
CID 3858032
2-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]propanoic acid
CID 116889189
2-[1-(4-propan-2-yloxybenzoyl)piperidin-4-yl]-N-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide
CID 3541030
N-[1-(2-bromopyridine-4-carbonyl)piperidin-4-yl]-2-methylpropanamide
CID 103752412
4-(4-tert-butyl-1,3-thiazol-2-yl)-N-(2-methyl-3-nitrophenyl)piperidine-1-carboxamide
CID 3865155
N-[4-[3-(4-methylpyrimidin-2-yl)pyrrolidine-1-carbonyl]-2-pyridinyl]acetamide
CID 127246605
N-[4-[(3S)-3-(4-methylpyrimidin-2-yl)pyrrolidine-1-carbonyl]-2-pyridinyl]acetamide
CID 125021033

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(4-tert-butyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-2-pyridinyl]-2-methylpropanamide?
The IUPAC name of N-[4-[4-(4-tert-butyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-2-pyridinyl]-2-methylpropanamide (CID 138994808) is N-[4-[4-(4-tert-butyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-2-pyridinyl]-2-methylpropanamide.
What is the SMILES notation for N-[4-[4-(4-tert-butyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-2-pyridinyl]-2-methylpropanamide?
The canonical SMILES for N-[4-[4-(4-tert-butyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-2-pyridinyl]-2-methylpropanamide is CC(C)C(=O)Nc1cc(C(=O)N2CCC(c3nc(C(C)(C)C)cs3)CC2)ccn1.
What is the InChIKey of N-[4-[4-(4-tert-butyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-2-pyridinyl]-2-methylpropanamide?
The InChIKey is UFEHCQNVRSECAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2S/c1-14(2)19(27)25-18-12-16(6-9-23-18)21(28)26-10-7-15(8-11-26)20-24-17(13-29-20)22(3,4)5/h6,9,12-15H,7-8,10-11H2,1-5H3,(H,23,25,27).
What are the key properties of N-[4-[4-(4-tert-butyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-2-pyridinyl]-2-methylpropanamide?
N-[4-[4-(4-tert-butyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-2-pyridinyl]-2-methylpropanamide has a molecular weight of 414.58 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(4-tert-butyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-2-pyridinyl]-2-methylpropanamide is sourced from PubChem (CID 138994808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).