(2-methyl-1,3-thiazol-5-yl)-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone

C13H16N4OS — CID 129369690

IUPAC(2-methyl-1,3-thiazol-5-yl)-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone
SMILESCc1ncc(C(=O)N2CCC[C@H](n3cccn3)C2)s1
InChIInChI=1S/C13H16N4OS/c1-10-14-8-12(19-10)13(18)16-6-2-4-11(9-16)17-7-3-5-15-17/h3,5,7-8,11H,2,4,6,9H2,1H3/t11-/m0/s1
InChIKeyWXBVFFCUXGINEH-NSHDSACASA-N
MW276.37 g/mol
LogP2.13
Rot. Bonds2

About (2-methyl-1,3-thiazol-5-yl)-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone

(2-methyl-1,3-thiazol-5-yl)-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone (PubChem CID 129369690) has the molecular formula C13H16N4OS and a molecular weight of 276.37 g/mol. Its IUPAC name is (2-methyl-1,3-thiazol-5-yl)-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-methyl-1,3-thiazol-5-yl)-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone
PubChem CID129369690
Molecular FormulaC13H16N4OS
Molecular Weight276.37 g/mol
Exact Mass276.10
IUPAC Name(2-methyl-1,3-thiazol-5-yl)-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone
SMILESCc1ncc(C(=O)N2CCC[C@H](n3cccn3)C2)s1
InChIInChI=1S/C13H16N4OS/c1-10-14-8-12(19-10)13(18)16-6-2-4-11(9-16)17-7-3-5-15-17/h3,5,7-8,11H,2,4,6,9H2,1H3/t11-/m0/s1
InChIKeyWXBVFFCUXGINEH-NSHDSACASA-N
XLogP2.13
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(furan-2-yl)-1,3-thiazol-5-yl]-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95158057
(2,5-dimethylthiophen-3-yl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95282542
[(3S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-(2-methyl-1,3-thiazol-5-yl)methanone
CID 95737234
N-(5-methyl-1,3-thiazol-2-yl)-2-oxo-2-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]acetamide
CID 99602928
(3-methyl-[1,2]thiazolo[5,4-b]pyridin-5-yl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95160978
(3-methylpyrrolidin-1-yl)-(2-methyl-1,3-thiazol-5-yl)methanone
CID 170767853
[(3R)-3-pyrazol-1-ylpiperidin-1-yl]-thiophen-3-ylmethanone
CID 95383030
(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95768735
(4-aminophenyl)-(3-pyrazol-1-ylpiperidin-1-yl)methanone
CID 110474500
(5-bromothiophen-3-yl)-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95158101
2-(5-methylthiophen-2-yl)-1-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]ethanone
CID 95273424
1,6-dimethyl-3-[(3S)-3-pyrazol-1-ylpiperidine-1-carbonyl]pyridin-2-one
CID 95283135

Frequently Asked Questions

What is the IUPAC name of (2-methyl-1,3-thiazol-5-yl)-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone?
The IUPAC name of (2-methyl-1,3-thiazol-5-yl)-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone (CID 129369690) is (2-methyl-1,3-thiazol-5-yl)-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone.
What is the SMILES notation for (2-methyl-1,3-thiazol-5-yl)-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone?
The canonical SMILES for (2-methyl-1,3-thiazol-5-yl)-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone is Cc1ncc(C(=O)N2CCC[C@H](n3cccn3)C2)s1.
What is the InChIKey of (2-methyl-1,3-thiazol-5-yl)-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone?
The InChIKey is WXBVFFCUXGINEH-NSHDSACASA-N. The full InChI is InChI=1S/C13H16N4OS/c1-10-14-8-12(19-10)13(18)16-6-2-4-11(9-16)17-7-3-5-15-17/h3,5,7-8,11H,2,4,6,9H2,1H3/t11-/m0/s1.
What are the key properties of (2-methyl-1,3-thiazol-5-yl)-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone?
(2-methyl-1,3-thiazol-5-yl)-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone has a molecular weight of 276.37 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1,3-thiazol-5-yl)-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]methanone is sourced from PubChem (CID 129369690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).