4-methyl-2-pyrazin-2-yl-5-[2-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1,3-thiazol-4-yl]-1,3-thiazole

C20H17N5S2 — CID 134081954

IUPAC4-methyl-2-pyrazin-2-yl-5-[2-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1,3-thiazol-4-yl]-1,3-thiazole
SMILESCc1nc(-c2cnccn2)sc1-c1csc(C2Cc3ccccc3CN2)n1
InChIInChI=1S/C20H17N5S2/c1-12-18(27-20(24-12)16-10-21-6-7-22-16)17-11-26-19(25-17)15-8-13-4-2-3-5-14(13)9-23-15/h2-7,10-11,15,23H,8-9H2,1H3
InChIKeyQVXCHTKDRUCJQA-UHFFFAOYSA-N
MW391.53 g/mol
LogP4.42
Rot. Bonds3

About 4-methyl-2-pyrazin-2-yl-5-[2-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1,3-thiazol-4-yl]-1,3-thiazole

4-methyl-2-pyrazin-2-yl-5-[2-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1,3-thiazol-4-yl]-1,3-thiazole (PubChem CID 134081954) has the molecular formula C20H17N5S2 and a molecular weight of 391.53 g/mol. Its IUPAC name is 4-methyl-2-pyrazin-2-yl-5-[2-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1,3-thiazol-4-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-pyrazin-2-yl-5-[2-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1,3-thiazol-4-yl]-1,3-thiazole
PubChem CID134081954
Molecular FormulaC20H17N5S2
Molecular Weight391.53 g/mol
Exact Mass391.09
IUPAC Name4-methyl-2-pyrazin-2-yl-5-[2-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1,3-thiazol-4-yl]-1,3-thiazole
SMILESCc1nc(-c2cnccn2)sc1-c1csc(C2Cc3ccccc3CN2)n1
InChIInChI=1S/C20H17N5S2/c1-12-18(27-20(24-12)16-10-21-6-7-22-16)17-11-26-19(25-17)15-8-13-4-2-3-5-14(13)9-23-15/h2-7,10-11,15,23H,8-9H2,1H3
InChIKeyQVXCHTKDRUCJQA-UHFFFAOYSA-N
XLogP4.42
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.53
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-pyrazin-2-yl-5-[2-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1,3-thiazol-4-yl]-1,3-thiazole?
The IUPAC name of 4-methyl-2-pyrazin-2-yl-5-[2-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1,3-thiazol-4-yl]-1,3-thiazole (CID 134081954) is 4-methyl-2-pyrazin-2-yl-5-[2-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1,3-thiazol-4-yl]-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-pyrazin-2-yl-5-[2-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1,3-thiazol-4-yl]-1,3-thiazole?
The canonical SMILES for 4-methyl-2-pyrazin-2-yl-5-[2-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1,3-thiazol-4-yl]-1,3-thiazole is Cc1nc(-c2cnccn2)sc1-c1csc(C2Cc3ccccc3CN2)n1.
What is the InChIKey of 4-methyl-2-pyrazin-2-yl-5-[2-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1,3-thiazol-4-yl]-1,3-thiazole?
The InChIKey is QVXCHTKDRUCJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5S2/c1-12-18(27-20(24-12)16-10-21-6-7-22-16)17-11-26-19(25-17)15-8-13-4-2-3-5-14(13)9-23-15/h2-7,10-11,15,23H,8-9H2,1H3.
What are the key properties of 4-methyl-2-pyrazin-2-yl-5-[2-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1,3-thiazol-4-yl]-1,3-thiazole?
4-methyl-2-pyrazin-2-yl-5-[2-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1,3-thiazol-4-yl]-1,3-thiazole has a molecular weight of 391.53 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-pyrazin-2-yl-5-[2-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1,3-thiazol-4-yl]-1,3-thiazole is sourced from PubChem (CID 134081954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).