[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]-[1-(1,3-thiazole-4-carbonyl)piperidin-4-yl]methanone

C19H20N4O2S — CID 155556595

IUPAC[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]-[1-(1,3-thiazole-4-carbonyl)piperidin-4-yl]methanone
SMILESO=C(c1cscn1)N1CCC(C(=O)N2N=CC[C@H]2c2ccccc2)CC1
InChIInChI=1S/C19H20N4O2S/c24-18(23-17(6-9-21-23)14-4-2-1-3-5-14)15-7-10-22(11-8-15)19(25)16-12-26-13-20-16/h1-5,9,12-13,15,17H,6-8,10-11H2/t17-/m0/s1
InChIKeyOIAYOTAFVSEDOQ-KRWDZBQOSA-N
MW368.46 g/mol
LogP2.95
Rot. Bonds3

About [(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]-[1-(1,3-thiazole-4-carbonyl)piperidin-4-yl]methanone

[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]-[1-(1,3-thiazole-4-carbonyl)piperidin-4-yl]methanone (PubChem CID 155556595) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is [(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]-[1-(1,3-thiazole-4-carbonyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]-[1-(1,3-thiazole-4-carbonyl)piperidin-4-yl]methanone
PubChem CID155556595
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC Name[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]-[1-(1,3-thiazole-4-carbonyl)piperidin-4-yl]methanone
SMILESO=C(c1cscn1)N1CCC(C(=O)N2N=CC[C@H]2c2ccccc2)CC1
InChIInChI=1S/C19H20N4O2S/c24-18(23-17(6-9-21-23)14-4-2-1-3-5-14)15-7-10-22(11-8-15)19(25)16-12-26-13-20-16/h1-5,9,12-13,15,17H,6-8,10-11H2/t17-/m0/s1
InChIKeyOIAYOTAFVSEDOQ-KRWDZBQOSA-N
XLogP2.95
TPSA65.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]-[1-(1,3-thiazole-4-carbonyl)piperidin-4-yl]methanone?
The IUPAC name of [(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]-[1-(1,3-thiazole-4-carbonyl)piperidin-4-yl]methanone (CID 155556595) is [(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]-[1-(1,3-thiazole-4-carbonyl)piperidin-4-yl]methanone.
What is the SMILES notation for [(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]-[1-(1,3-thiazole-4-carbonyl)piperidin-4-yl]methanone?
The canonical SMILES for [(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]-[1-(1,3-thiazole-4-carbonyl)piperidin-4-yl]methanone is O=C(c1cscn1)N1CCC(C(=O)N2N=CC[C@H]2c2ccccc2)CC1.
What is the InChIKey of [(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]-[1-(1,3-thiazole-4-carbonyl)piperidin-4-yl]methanone?
The InChIKey is OIAYOTAFVSEDOQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H20N4O2S/c24-18(23-17(6-9-21-23)14-4-2-1-3-5-14)15-7-10-22(11-8-15)19(25)16-12-26-13-20-16/h1-5,9,12-13,15,17H,6-8,10-11H2/t17-/m0/s1.
What are the key properties of [(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]-[1-(1,3-thiazole-4-carbonyl)piperidin-4-yl]methanone?
[(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]-[1-(1,3-thiazole-4-carbonyl)piperidin-4-yl]methanone has a molecular weight of 368.46 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-phenyl-3,4-dihydropyrazol-2-yl]-[1-(1,3-thiazole-4-carbonyl)piperidin-4-yl]methanone is sourced from PubChem (CID 155556595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).