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

C18H20N6OS — CID 72899785

IUPAC(5-methylpyrazin-2-yl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
SMILESCc1cnc(C(=O)N2CCCC(c3nccn3Cc3cscn3)C2)cn1
InChIInChI=1S/C18H20N6OS/c1-13-7-21-16(8-20-13)18(25)24-5-2-3-14(9-24)17-19-4-6-23(17)10-15-11-26-12-22-15/h4,6-8,11-12,14H,2-3,5,9-10H2,1H3
InChIKeyKHJWBKFBZQVANN-UHFFFAOYSA-N
MW368.47 g/mol
LogP2.51
Rot. Bonds4

About (5-methylpyrazin-2-yl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone

(5-methylpyrazin-2-yl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone (PubChem CID 72899785) has the molecular formula C18H20N6OS and a molecular weight of 368.47 g/mol. Its IUPAC name is (5-methylpyrazin-2-yl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-methylpyrazin-2-yl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
PubChem CID72899785
Molecular FormulaC18H20N6OS
Molecular Weight368.47 g/mol
Exact Mass368.14
IUPAC Name(5-methylpyrazin-2-yl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
SMILESCc1cnc(C(=O)N2CCCC(c3nccn3Cc3cscn3)C2)cn1
InChIInChI=1S/C18H20N6OS/c1-13-7-21-16(8-20-13)18(25)24-5-2-3-14(9-24)17-19-4-6-23(17)10-15-11-26-12-22-15/h4,6-8,11-12,14H,2-3,5,9-10H2,1H3
InChIKeyKHJWBKFBZQVANN-UHFFFAOYSA-N
XLogP2.51
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (5-methylpyrazin-2-yl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?
The IUPAC name of (5-methylpyrazin-2-yl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone (CID 72899785) is (5-methylpyrazin-2-yl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (5-methylpyrazin-2-yl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for (5-methylpyrazin-2-yl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone is Cc1cnc(C(=O)N2CCCC(c3nccn3Cc3cscn3)C2)cn1.
What is the InChIKey of (5-methylpyrazin-2-yl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?
The InChIKey is KHJWBKFBZQVANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6OS/c1-13-7-21-16(8-20-13)18(25)24-5-2-3-14(9-24)17-19-4-6-23(17)10-15-11-26-12-22-15/h4,6-8,11-12,14H,2-3,5,9-10H2,1H3.
What are the key properties of (5-methylpyrazin-2-yl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone?
(5-methylpyrazin-2-yl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 368.47 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylpyrazin-2-yl)-[3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 72899785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).