N-ethyl-2-[1-(5-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]-N-(1,3,4-thiadiazol-2-yl)-1,3-thiazole-4-carboxamide

C24H25N7O2S2 — CID 3486744

IUPACN-ethyl-2-[1-(5-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]-N-(1,3,4-thiadiazol-2-yl)-1,3-thiazole-4-carboxamide
SMILESCCN(C(=O)c1csc(C2CCN(C(=O)c3cnn(-c4ccccc4)c3C)CC2)n1)c1nncs1
InChIInChI=1S/C24H25N7O2S2/c1-3-30(24-28-25-15-35-24)23(33)20-14-34-21(27-20)17-9-11-29(12-10-17)22(32)19-13-26-31(16(19)2)18-7-5-4-6-8-18/h4-8,13-15,17H,3,9-12H2,1-2H3
InChIKeyMSRVZUYBBJTNGR-UHFFFAOYSA-N
MW507.65 g/mol
LogP4.18
Rot. Bonds6

About N-ethyl-2-[1-(5-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]-N-(1,3,4-thiadiazol-2-yl)-1,3-thiazole-4-carboxamide

N-ethyl-2-[1-(5-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]-N-(1,3,4-thiadiazol-2-yl)-1,3-thiazole-4-carboxamide (PubChem CID 3486744) has the molecular formula C24H25N7O2S2 and a molecular weight of 507.65 g/mol. Its IUPAC name is N-ethyl-2-[1-(5-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]-N-(1,3,4-thiadiazol-2-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-[1-(5-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]-N-(1,3,4-thiadiazol-2-yl)-1,3-thiazole-4-carboxamide
PubChem CID3486744
Molecular FormulaC24H25N7O2S2
Molecular Weight507.65 g/mol
Exact Mass507.15
IUPAC NameN-ethyl-2-[1-(5-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]-N-(1,3,4-thiadiazol-2-yl)-1,3-thiazole-4-carboxamide
SMILESCCN(C(=O)c1csc(C2CCN(C(=O)c3cnn(-c4ccccc4)c3C)CC2)n1)c1nncs1
InChIInChI=1S/C24H25N7O2S2/c1-3-30(24-28-25-15-35-24)23(33)20-14-34-21(27-20)17-9-11-29(12-10-17)22(32)19-13-26-31(16(19)2)18-7-5-4-6-8-18/h4-8,13-15,17H,3,9-12H2,1-2H3
InChIKeyMSRVZUYBBJTNGR-UHFFFAOYSA-N
XLogP4.18
TPSA97.11 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.65
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

2-[1-(5-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]-N-morpholin-4-yl-1,3-thiazole-4-carboxamide
CID 3786311
2-methyl-5-[1-(5-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]-4-phenyl-1,2,4-triazol-3-one
CID 90540357
ethyl 5-[2-[1-[1-phenyl-5-(trifluoromethyl)pyrazole-4-carbonyl]piperidin-4-yl]-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxylate
CID 3837125
5-[4-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-1-phenylpyrazole-3-carboxylic acid
CID 119183904
(5-methyl-1-phenylpyrazol-4-yl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 90495061
N-benzyl-N-ethyl-2-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 4584974
(5-methyl-1-phenylpyrazol-4-yl)-[(7R)-7-phenyl-1,4-thiazepan-4-yl]methanone
CID 99903755
N-cyclopentyl-N-ethyl-5-methyl-1-phenylpyrazole-4-carboxamide
CID 134060993
[(3R)-3-aminopyrrolidin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone
CID 119412099
4-cyclopentyl-2-methyl-5-[1-(5-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one
CID 121114820
4-ethyl-2-(2-methoxyethyl)-5-[1-(5-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one
CID 72717136
N-[1-(5-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]benzamide
CID 34424786

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[1-(5-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]-N-(1,3,4-thiadiazol-2-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-ethyl-2-[1-(5-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]-N-(1,3,4-thiadiazol-2-yl)-1,3-thiazole-4-carboxamide (CID 3486744) is N-ethyl-2-[1-(5-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]-N-(1,3,4-thiadiazol-2-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-ethyl-2-[1-(5-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]-N-(1,3,4-thiadiazol-2-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-ethyl-2-[1-(5-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]-N-(1,3,4-thiadiazol-2-yl)-1,3-thiazole-4-carboxamide is CCN(C(=O)c1csc(C2CCN(C(=O)c3cnn(-c4ccccc4)c3C)CC2)n1)c1nncs1.
What is the InChIKey of N-ethyl-2-[1-(5-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]-N-(1,3,4-thiadiazol-2-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is MSRVZUYBBJTNGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O2S2/c1-3-30(24-28-25-15-35-24)23(33)20-14-34-21(27-20)17-9-11-29(12-10-17)22(32)19-13-26-31(16(19)2)18-7-5-4-6-8-18/h4-8,13-15,17H,3,9-12H2,1-2H3.
What are the key properties of N-ethyl-2-[1-(5-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]-N-(1,3,4-thiadiazol-2-yl)-1,3-thiazole-4-carboxamide?
N-ethyl-2-[1-(5-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]-N-(1,3,4-thiadiazol-2-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 507.65 g/mol, XLogP of 4.18, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[1-(5-methyl-1-phenylpyrazole-4-carbonyl)piperidin-4-yl]-N-(1,3,4-thiadiazol-2-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 3486744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).