(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone

C22H25N5OS — CID 86946887

IUPAC(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
SMILESCCc1csc(C2CCCN(C(=O)c3nc(C4CC4)n(-c4ccccc4)n3)C2)n1
InChIInChI=1S/C22H25N5OS/c1-2-17-14-29-21(23-17)16-7-6-12-26(13-16)22(28)19-24-20(15-10-11-15)27(25-19)18-8-4-3-5-9-18/h3-5,8-9,14-16H,2,6-7,10-13H2,1H3
InChIKeyUGYJFIZRHXYYSE-UHFFFAOYSA-N
MW407.54 g/mol
LogP4.18
Rot. Bonds5

About (5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone

(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone (PubChem CID 86946887) has the molecular formula C22H25N5OS and a molecular weight of 407.54 g/mol. Its IUPAC name is (5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
PubChem CID86946887
Molecular FormulaC22H25N5OS
Molecular Weight407.54 g/mol
Exact Mass407.18
IUPAC Name(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
SMILESCCc1csc(C2CCCN(C(=O)c3nc(C4CC4)n(-c4ccccc4)n3)C2)n1
InChIInChI=1S/C22H25N5OS/c1-2-17-14-29-21(23-17)16-7-6-12-26(13-16)22(28)19-24-20(15-10-11-15)27(25-19)18-8-4-3-5-9-18/h3-5,8-9,14-16H,2,6-7,10-13H2,1H3
InChIKeyUGYJFIZRHXYYSE-UHFFFAOYSA-N
XLogP4.18
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2-aminophenyl)-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 119946973
[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)methanone
CID 86946854
1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 53016829
(4-tert-butylazepan-1-yl)-(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)methanone
CID 86961357
cyclopropyl-[(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95051901
[6-(dimethylamino)pyridazin-3-yl]-[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95768063
2-amino-1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one
CID 119873569
[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(6-methoxypyridazin-3-yl)methanone
CID 95773881
(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)-[(2R)-2-methylpiperidin-1-yl]methanone
CID 95157198
1,3-benzodioxol-5-yl-[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95767935
5-[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-1-methylpyridin-2-one
CID 95767983
[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 95767995

Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone (CID 86946887) is (5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone is CCc1csc(C2CCCN(C(=O)c3nc(C4CC4)n(-c4ccccc4)n3)C2)n1.
What is the InChIKey of (5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is UGYJFIZRHXYYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5OS/c1-2-17-14-29-21(23-17)16-7-6-12-26(13-16)22(28)19-24-20(15-10-11-15)27(25-19)18-8-4-3-5-9-18/h3-5,8-9,14-16H,2,6-7,10-13H2,1H3.
What are the key properties of (5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone?
(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 407.54 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 86946887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).