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

C18H22N6OS — CID 72925220

IUPAC(1,3-dimethylpyrazol-4-yl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
SMILESCc1nn(C)cc1C(=O)N1CCCC(c2nccn2Cc2cscn2)C1
InChIInChI=1S/C18H22N6OS/c1-13-16(10-22(2)21-13)18(25)24-6-3-4-14(8-24)17-19-5-7-23(17)9-15-11-26-12-20-15/h5,7,10-12,14H,3-4,6,8-9H2,1-2H3
InChIKeyWAPCQDXIGWBLPZ-UHFFFAOYSA-N
MW370.48 g/mol
LogP2.45
Rot. Bonds4

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

(1,3-dimethylpyrazol-4-yl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone (PubChem CID 72925220) has the molecular formula C18H22N6OS and a molecular weight of 370.48 g/mol. Its IUPAC name is (1,3-dimethylpyrazol-4-yl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1,3-dimethylpyrazol-4-yl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
PubChem CID72925220
Molecular FormulaC18H22N6OS
Molecular Weight370.48 g/mol
Exact Mass370.16
IUPAC Name(1,3-dimethylpyrazol-4-yl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
SMILESCc1nn(C)cc1C(=O)N1CCCC(c2nccn2Cc2cscn2)C1
InChIInChI=1S/C18H22N6OS/c1-13-16(10-22(2)21-13)18(25)24-6-3-4-14(8-24)17-19-5-7-23(17)9-15-11-26-12-20-15/h5,7,10-12,14H,3-4,6,8-9H2,1-2H3
InChIKeyWAPCQDXIGWBLPZ-UHFFFAOYSA-N
XLogP2.45
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (1,3-dimethylpyrazol-4-yl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?
The IUPAC name of (1,3-dimethylpyrazol-4-yl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone (CID 72925220) is (1,3-dimethylpyrazol-4-yl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (1,3-dimethylpyrazol-4-yl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for (1,3-dimethylpyrazol-4-yl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone is Cc1nn(C)cc1C(=O)N1CCCC(c2nccn2Cc2cscn2)C1.
What is the InChIKey of (1,3-dimethylpyrazol-4-yl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?
The InChIKey is WAPCQDXIGWBLPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6OS/c1-13-16(10-22(2)21-13)18(25)24-6-3-4-14(8-24)17-19-5-7-23(17)9-15-11-26-12-20-15/h5,7,10-12,14H,3-4,6,8-9H2,1-2H3.
What are the key properties of (1,3-dimethylpyrazol-4-yl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?
(1,3-dimethylpyrazol-4-yl)-[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 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dimethylpyrazol-4-yl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 72925220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).