2-[4-[(3S)-3-phenyl-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]-1,3-thiazole-5-carboxamide

C19H21N5O2S — CID 134521790

IUPAC2-[4-[(3S)-3-phenyl-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1cnc(N2CCC(C(=O)N3N=CC[C@H]3c3ccccc3)CC2)s1
InChIInChI=1S/C19H21N5O2S/c20-17(25)16-12-21-19(27-16)23-10-7-14(8-11-23)18(26)24-15(6-9-22-24)13-4-2-1-3-5-13/h1-5,9,12,14-15H,6-8,10-11H2,(H2,20,25)/t15-/m0/s1
InChIKeyKXRKEPHJVUVDCC-HNNXBMFYSA-N
MW383.48 g/mol
LogP2.42
Rot. Bonds4

About 2-[4-[(3S)-3-phenyl-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]-1,3-thiazole-5-carboxamide

2-[4-[(3S)-3-phenyl-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]-1,3-thiazole-5-carboxamide (PubChem CID 134521790) has the molecular formula C19H21N5O2S and a molecular weight of 383.48 g/mol. Its IUPAC name is 2-[4-[(3S)-3-phenyl-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[4-[(3S)-3-phenyl-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]-1,3-thiazole-5-carboxamide
PubChem CID134521790
Molecular FormulaC19H21N5O2S
Molecular Weight383.48 g/mol
Exact Mass383.14
IUPAC Name2-[4-[(3S)-3-phenyl-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1cnc(N2CCC(C(=O)N3N=CC[C@H]3c3ccccc3)CC2)s1
InChIInChI=1S/C19H21N5O2S/c20-17(25)16-12-21-19(27-16)23-10-7-14(8-11-23)18(26)24-15(6-9-22-24)13-4-2-1-3-5-13/h1-5,9,12,14-15H,6-8,10-11H2,(H2,20,25)/t15-/m0/s1
InChIKeyKXRKEPHJVUVDCC-HNNXBMFYSA-N
XLogP2.42
TPSA91.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.48
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-[(3S)-3-phenyl-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]-1,3-thiazole-5-carboxamide with MolForge

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Related Compounds

[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]-[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]methanone
CID 134521808
N-ethyl-4-(3-phenyl-3,4-dihydropyrazole-2-carbonyl)piperidine-1-carboxamide
CID 122703629
(3-phenyl-3,4-dihydropyrazol-2-yl)-[1-(pyrimidine-2-carbonyl)piperidin-4-yl]methanone
CID 122703779
3-[4-[(3S)-3-phenyl-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]pyrazine-2-carbonitrile
CID 134522012
[1-(6-methoxypyrazin-2-yl)piperidin-4-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone
CID 134522244
[1-[4-(methylamino)pyrimidin-2-yl]piperidin-4-yl]-[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]methanone
CID 134522247
[1-(2-amino-6-methoxypyrimidin-4-yl)piperidin-4-yl]-[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]methanone
CID 134521427
1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone
CID 167538208
[1-(5-fluoropyridine-2-carbonyl)piperidin-4-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone
CID 122703667
2-(4-pyridazin-3-ylpiperazin-1-yl)-1,3-thiazole-5-carboxamide
CID 175864789
[1-[4-(morpholine-4-carbonyl)pyrimidin-2-yl]piperidin-4-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone
CID 134521292
[1-(1-methylpyrrole-2-carbonyl)piperidin-4-yl]-(3-phenyl-3,4-dihydropyrazol-2-yl)methanone
CID 122703746

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3S)-3-phenyl-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[4-[(3S)-3-phenyl-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]-1,3-thiazole-5-carboxamide (CID 134521790) is 2-[4-[(3S)-3-phenyl-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[4-[(3S)-3-phenyl-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[4-[(3S)-3-phenyl-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]-1,3-thiazole-5-carboxamide is NC(=O)c1cnc(N2CCC(C(=O)N3N=CC[C@H]3c3ccccc3)CC2)s1.
What is the InChIKey of 2-[4-[(3S)-3-phenyl-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is KXRKEPHJVUVDCC-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H21N5O2S/c20-17(25)16-12-21-19(27-16)23-10-7-14(8-11-23)18(26)24-15(6-9-22-24)13-4-2-1-3-5-13/h1-5,9,12,14-15H,6-8,10-11H2,(H2,20,25)/t15-/m0/s1.
What are the key properties of 2-[4-[(3S)-3-phenyl-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]-1,3-thiazole-5-carboxamide?
2-[4-[(3S)-3-phenyl-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 383.48 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3S)-3-phenyl-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 134521790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).