2-[1-(4-propan-2-yloxybenzoyl)piperidin-4-yl]-N-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide

C22H25N5O3S — CID 3541030

IUPAC2-[1-(4-propan-2-yloxybenzoyl)piperidin-4-yl]-N-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide
SMILESCC(C)Oc1ccc(C(=O)N2CCC(c3nc(C(=O)Nc4ccn[nH]4)cs3)CC2)cc1
InChIInChI=1S/C22H25N5O3S/c1-14(2)30-17-5-3-16(4-6-17)22(29)27-11-8-15(9-12-27)21-24-18(13-31-21)20(28)25-19-7-10-23-26-19/h3-7,10,13-15H,8-9,11-12H2,1-2H3,(H2,23,25,26,28)
InChIKeyRKDOIARINAFWTE-UHFFFAOYSA-N
MW439.54 g/mol
LogP3.93
Rot. Bonds6

About 2-[1-(4-propan-2-yloxybenzoyl)piperidin-4-yl]-N-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide

2-[1-(4-propan-2-yloxybenzoyl)piperidin-4-yl]-N-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide (PubChem CID 3541030) has the molecular formula C22H25N5O3S and a molecular weight of 439.54 g/mol. Its IUPAC name is 2-[1-(4-propan-2-yloxybenzoyl)piperidin-4-yl]-N-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[1-(4-propan-2-yloxybenzoyl)piperidin-4-yl]-N-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide
PubChem CID3541030
Molecular FormulaC22H25N5O3S
Molecular Weight439.54 g/mol
Exact Mass439.17
IUPAC Name2-[1-(4-propan-2-yloxybenzoyl)piperidin-4-yl]-N-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide
SMILESCC(C)Oc1ccc(C(=O)N2CCC(c3nc(C(=O)Nc4ccn[nH]4)cs3)CC2)cc1
InChIInChI=1S/C22H25N5O3S/c1-14(2)30-17-5-3-16(4-6-17)22(29)27-11-8-15(9-12-27)21-24-18(13-31-21)20(28)25-19-7-10-23-26-19/h3-7,10,13-15H,8-9,11-12H2,1-2H3,(H2,23,25,26,28)
InChIKeyRKDOIARINAFWTE-UHFFFAOYSA-N
XLogP3.93
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(4-propan-2-yloxybenzoyl)piperidin-4-yl]-N-[3-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide
CID 3689654
4-methyl-N'-[2-[1-(4-propan-2-yloxybenzoyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]thiadiazole-5-carbohydrazide
CID 3750618
N-cyclohexyl-N-methyl-2-[1-(4-propan-2-yloxybenzoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 23799785
2-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-N-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide
CID 23909850
propan-2-yl 4-[[2-[1-[4-(4-methoxyphenyl)-4-oxobutanoyl]piperidin-4-yl]-1,3-thiazole-4-carbonyl]amino]benzoate
CID 5016416
1-(4-propan-2-yloxybenzoyl)piperidine-4-carboxylic acid
CID 17200636
3-[4-(azetidine-1-carbonyl)phenoxy]-5-[(2S)-1-hydroxypropan-2-yl]oxy-N-(1H-pyrazol-5-yl)benzamide
CID 11662060
2-[4-(azetidine-1-carbonyl)phenoxy]-6-[(2R)-1-methoxypropan-2-yl]oxy-N-(1H-pyrazol-5-yl)pyridine-4-carboxamide
CID 67765354
N'-(pyridine-4-carbonyl)-2-[1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]-1,3-thiazole-4-carbohydrazide
CID 3248199
4-[4-(1H-indazol-5-ylcarbamoyl)-1,3-thiazol-2-yl]piperidine-1-carboxylic acid
CID 118250045
ethyl 2-[1-(2H-benzotriazole-5-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxylate
CID 6411679
ethyl 2-[[2-[1-[4-(4-methoxyphenyl)-4-oxobutanoyl]piperidin-4-yl]-1,3-thiazole-4-carbonyl]amino]-1,3-thiazole-4-carboxylate
CID 3483844

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-propan-2-yloxybenzoyl)piperidin-4-yl]-N-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[1-(4-propan-2-yloxybenzoyl)piperidin-4-yl]-N-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide (CID 3541030) is 2-[1-(4-propan-2-yloxybenzoyl)piperidin-4-yl]-N-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[1-(4-propan-2-yloxybenzoyl)piperidin-4-yl]-N-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[1-(4-propan-2-yloxybenzoyl)piperidin-4-yl]-N-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide is CC(C)Oc1ccc(C(=O)N2CCC(c3nc(C(=O)Nc4ccn[nH]4)cs3)CC2)cc1.
What is the InChIKey of 2-[1-(4-propan-2-yloxybenzoyl)piperidin-4-yl]-N-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is RKDOIARINAFWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3S/c1-14(2)30-17-5-3-16(4-6-17)22(29)27-11-8-15(9-12-27)21-24-18(13-31-21)20(28)25-19-7-10-23-26-19/h3-7,10,13-15H,8-9,11-12H2,1-2H3,(H2,23,25,26,28).
What are the key properties of 2-[1-(4-propan-2-yloxybenzoyl)piperidin-4-yl]-N-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide?
2-[1-(4-propan-2-yloxybenzoyl)piperidin-4-yl]-N-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 439.54 g/mol, XLogP of 3.93, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-propan-2-yloxybenzoyl)piperidin-4-yl]-N-(1H-pyrazol-5-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 3541030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).