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

C18H22N6OS — CID 70780498

IUPAC(2-ethylpyrazol-3-yl)-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
SMILESCCn1nccc1C(=O)N1CCC(c2nccn2Cc2cscn2)CC1
InChIInChI=1S/C18H22N6OS/c1-2-24-16(3-6-21-24)18(25)22-8-4-14(5-9-22)17-19-7-10-23(17)11-15-12-26-13-20-15/h3,6-7,10,12-14H,2,4-5,8-9,11H2,1H3
InChIKeyDJDYUVSVASDWTB-UHFFFAOYSA-N
MW370.48 g/mol
LogP2.62
Rot. Bonds5

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

(2-ethylpyrazol-3-yl)-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone (PubChem CID 70780498) has the molecular formula C18H22N6OS and a molecular weight of 370.48 g/mol. Its IUPAC name is (2-ethylpyrazol-3-yl)-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-ethylpyrazol-3-yl)-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
PubChem CID70780498
Molecular FormulaC18H22N6OS
Molecular Weight370.48 g/mol
Exact Mass370.16
IUPAC Name(2-ethylpyrazol-3-yl)-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
SMILESCCn1nccc1C(=O)N1CCC(c2nccn2Cc2cscn2)CC1
InChIInChI=1S/C18H22N6OS/c1-2-24-16(3-6-21-24)18(25)22-8-4-14(5-9-22)17-19-7-10-23(17)11-15-12-26-13-20-15/h3,6-7,10,12-14H,2,4-5,8-9,11H2,1H3
InChIKeyDJDYUVSVASDWTB-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of (2-ethylpyrazol-3-yl)-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?
The IUPAC name of (2-ethylpyrazol-3-yl)-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone (CID 70780498) is (2-ethylpyrazol-3-yl)-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (2-ethylpyrazol-3-yl)-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for (2-ethylpyrazol-3-yl)-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone is CCn1nccc1C(=O)N1CCC(c2nccn2Cc2cscn2)CC1.
What is the InChIKey of (2-ethylpyrazol-3-yl)-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?
The InChIKey is DJDYUVSVASDWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6OS/c1-2-24-16(3-6-21-24)18(25)22-8-4-14(5-9-22)17-19-7-10-23(17)11-15-12-26-13-20-15/h3,6-7,10,12-14H,2,4-5,8-9,11H2,1H3.
What are the key properties of (2-ethylpyrazol-3-yl)-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?
(2-ethylpyrazol-3-yl)-[4-[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 (2-ethylpyrazol-3-yl)-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 70780498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).