(1-ethylpyrazol-4-yl)-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone

C18H22N6OS — CID 97283849

IUPAC(1-ethylpyrazol-4-yl)-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
SMILESCCn1cc(C(=O)N2CCC[C@@H](c3nccn3Cc3cscn3)C2)cn1
InChIInChI=1S/C18H22N6OS/c1-2-24-10-15(8-21-24)18(25)23-6-3-4-14(9-23)17-19-5-7-22(17)11-16-12-26-13-20-16/h5,7-8,10,12-14H,2-4,6,9,11H2,1H3/t14-/m1/s1
InChIKeyASBKYIZIPMJXIO-CQSZACIVSA-N
MW370.48 g/mol
LogP2.62
Rot. Bonds5

About (1-ethylpyrazol-4-yl)-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone

(1-ethylpyrazol-4-yl)-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone (PubChem CID 97283849) has the molecular formula C18H22N6OS and a molecular weight of 370.48 g/mol. Its IUPAC name is (1-ethylpyrazol-4-yl)-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-ethylpyrazol-4-yl)-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
PubChem CID97283849
Molecular FormulaC18H22N6OS
Molecular Weight370.48 g/mol
Exact Mass370.16
IUPAC Name(1-ethylpyrazol-4-yl)-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
SMILESCCn1cc(C(=O)N2CCC[C@@H](c3nccn3Cc3cscn3)C2)cn1
InChIInChI=1S/C18H22N6OS/c1-2-24-10-15(8-21-24)18(25)23-6-3-4-14(9-23)17-19-5-7-22(17)11-16-12-26-13-20-16/h5,7-8,10,12-14H,2-4,6,9,11H2,1H3/t14-/m1/s1
InChIKeyASBKYIZIPMJXIO-CQSZACIVSA-N
XLogP2.62
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(1-ethylpyrazol-4-yl)-[(3S)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97142614
(2-ethylpyrazol-3-yl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 72924941
(2-ethylpyrazol-3-yl)-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97283841
1-methyl-5-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]pyridin-2-one
CID 97278566
pyrazin-2-yl-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97274348
3-(4-methylpyrazol-1-yl)-1-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one
CID 72879379
5-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]pyridine-2-carbonitrile
CID 97285252
propan-2-yl (3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidine-1-carboxylate
CID 97210106
(4-methylpyrimidin-5-yl)-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97282641
(4-methylthiadiazol-5-yl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 72877462
3-pyrazol-1-yl-1-[(3S)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one
CID 97209859
2-methyl-2-pyrrolidin-1-yl-1-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one
CID 97269710

Frequently Asked Questions

What is the IUPAC name of (1-ethylpyrazol-4-yl)-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?
The IUPAC name of (1-ethylpyrazol-4-yl)-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone (CID 97283849) is (1-ethylpyrazol-4-yl)-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (1-ethylpyrazol-4-yl)-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for (1-ethylpyrazol-4-yl)-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone is CCn1cc(C(=O)N2CCC[C@@H](c3nccn3Cc3cscn3)C2)cn1.
What is the InChIKey of (1-ethylpyrazol-4-yl)-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?
The InChIKey is ASBKYIZIPMJXIO-CQSZACIVSA-N. The full InChI is InChI=1S/C18H22N6OS/c1-2-24-10-15(8-21-24)18(25)23-6-3-4-14(9-23)17-19-5-7-22(17)11-16-12-26-13-20-16/h5,7-8,10,12-14H,2-4,6,9,11H2,1H3/t14-/m1/s1.
What are the key properties of (1-ethylpyrazol-4-yl)-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?
(1-ethylpyrazol-4-yl)-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 370.48 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylpyrazol-4-yl)-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 97283849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).