2-[1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]-N-[3,3,3-trifluoro-2-(1H-pyrrol-2-yl)propyl]-1,3-thiazole-4-carboxamide

C24H31F3N4O2S — CID 134091465

IUPAC2-[1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]-N-[3,3,3-trifluoro-2-(1H-pyrrol-2-yl)propyl]-1,3-thiazole-4-carboxamide
SMILESCC1(C)C(C(=O)N2CCC(c3nc(C(=O)NCC(c4ccc[nH]4)C(F)(F)F)cs3)CC2)C1(C)C
InChIInChI=1S/C24H31F3N4O2S/c1-22(2)18(23(22,3)4)21(33)31-10-7-14(8-11-31)20-30-17(13-34-20)19(32)29-12-15(24(25,26)27)16-6-5-9-28-16/h5-6,9,13-15,18,28H,7-8,10-12H2,1-4H3,(H,29,32)
InChIKeyOTTZSPQLYWHRNG-UHFFFAOYSA-N
MW496.60 g/mol
LogP4.94
Rot. Bonds6

About 2-[1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]-N-[3,3,3-trifluoro-2-(1H-pyrrol-2-yl)propyl]-1,3-thiazole-4-carboxamide

2-[1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]-N-[3,3,3-trifluoro-2-(1H-pyrrol-2-yl)propyl]-1,3-thiazole-4-carboxamide (PubChem CID 134091465) has the molecular formula C24H31F3N4O2S and a molecular weight of 496.60 g/mol. Its IUPAC name is 2-[1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]-N-[3,3,3-trifluoro-2-(1H-pyrrol-2-yl)propyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]-N-[3,3,3-trifluoro-2-(1H-pyrrol-2-yl)propyl]-1,3-thiazole-4-carboxamide
PubChem CID134091465
Molecular FormulaC24H31F3N4O2S
Molecular Weight496.60 g/mol
Exact Mass496.21
IUPAC Name2-[1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]-N-[3,3,3-trifluoro-2-(1H-pyrrol-2-yl)propyl]-1,3-thiazole-4-carboxamide
SMILESCC1(C)C(C(=O)N2CCC(c3nc(C(=O)NCC(c4ccc[nH]4)C(F)(F)F)cs3)CC2)C1(C)C
InChIInChI=1S/C24H31F3N4O2S/c1-22(2)18(23(22,3)4)21(33)31-10-7-14(8-11-31)20-30-17(13-34-20)19(32)29-12-15(24(25,26)27)16-6-5-9-28-16/h5-6,9,13-15,18,28H,7-8,10-12H2,1-4H3,(H,29,32)
InChIKeyOTTZSPQLYWHRNG-UHFFFAOYSA-N
XLogP4.94
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.60
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]-N-[3,3,3-trifluoro-2-(1H-pyrrol-2-yl)propyl]-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

N'-(pyridine-2-carbonyl)-2-[1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]-1,3-thiazole-4-carbohydrazide
CID 3610090
N'-(2-chlorobenzoyl)-2-[1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]-1,3-thiazole-4-carbohydrazide
CID 3586423
N'-[2-[1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]thiadiazole-4-carbohydrazide
CID 3579880
N'-(pyridine-4-carbonyl)-2-[1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]-1,3-thiazole-4-carbohydrazide
CID 3248199
ethyl 3-phenyl-2-[[2-[1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]amino]propanoate
CID 3833034
[4-[4-(1,3-dihydrobenzo[de]isoquinoline-2-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 5020119
N'-methyl-N'-quinoxalin-2-yl-2-[1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]-1,3-thiazole-4-carbohydrazide
CID 3541032
N-(2,3-dihydro-1H-inden-5-yl)-2-[1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 3864446
N-(2-morpholin-4-ylphenyl)-2-[1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 3283646
[4-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 3866782
N-(2-methyl-1,3-benzothiazol-5-yl)-2-[1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 3833664
N'-[2-[1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]-2,1,3-benzoxadiazole-5-carbohydrazide
CID 3783062

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]-N-[3,3,3-trifluoro-2-(1H-pyrrol-2-yl)propyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]-N-[3,3,3-trifluoro-2-(1H-pyrrol-2-yl)propyl]-1,3-thiazole-4-carboxamide (CID 134091465) is 2-[1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]-N-[3,3,3-trifluoro-2-(1H-pyrrol-2-yl)propyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]-N-[3,3,3-trifluoro-2-(1H-pyrrol-2-yl)propyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]-N-[3,3,3-trifluoro-2-(1H-pyrrol-2-yl)propyl]-1,3-thiazole-4-carboxamide is CC1(C)C(C(=O)N2CCC(c3nc(C(=O)NCC(c4ccc[nH]4)C(F)(F)F)cs3)CC2)C1(C)C.
What is the InChIKey of 2-[1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]-N-[3,3,3-trifluoro-2-(1H-pyrrol-2-yl)propyl]-1,3-thiazole-4-carboxamide?
The InChIKey is OTTZSPQLYWHRNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31F3N4O2S/c1-22(2)18(23(22,3)4)21(33)31-10-7-14(8-11-31)20-30-17(13-34-20)19(32)29-12-15(24(25,26)27)16-6-5-9-28-16/h5-6,9,13-15,18,28H,7-8,10-12H2,1-4H3,(H,29,32).
What are the key properties of 2-[1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]-N-[3,3,3-trifluoro-2-(1H-pyrrol-2-yl)propyl]-1,3-thiazole-4-carboxamide?
2-[1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]-N-[3,3,3-trifluoro-2-(1H-pyrrol-2-yl)propyl]-1,3-thiazole-4-carboxamide has a molecular weight of 496.60 g/mol, XLogP of 4.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]-N-[3,3,3-trifluoro-2-(1H-pyrrol-2-yl)propyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 134091465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).