[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone

C14H18N6OS — CID 32647409

IUPAC[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
SMILESCNc1snc(C)c1C(=O)N1CCN(c2cnccn2)CC1
InChIInChI=1S/C14H18N6OS/c1-10-12(13(15-2)22-18-10)14(21)20-7-5-19(6-8-20)11-9-16-3-4-17-11/h3-4,9,15H,5-8H2,1-2H3
InChIKeyONBCGJFKSHWHAN-UHFFFAOYSA-N
MW318.41 g/mol
LogP1.25
Rot. Bonds3

About [3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone

[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone (PubChem CID 32647409) has the molecular formula C14H18N6OS and a molecular weight of 318.41 g/mol. Its IUPAC name is [3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
PubChem CID32647409
Molecular FormulaC14H18N6OS
Molecular Weight318.41 g/mol
Exact Mass318.13
IUPAC Name[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
SMILESCNc1snc(C)c1C(=O)N1CCN(c2cnccn2)CC1
InChIInChI=1S/C14H18N6OS/c1-10-12(13(15-2)22-18-10)14(21)20-7-5-19(6-8-20)11-9-16-3-4-17-11/h3-4,9,15H,5-8H2,1-2H3
InChIKeyONBCGJFKSHWHAN-UHFFFAOYSA-N
XLogP1.25
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.41
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone (CID 32647409) is [3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone is CNc1snc(C)c1C(=O)N1CCN(c2cnccn2)CC1.
What is the InChIKey of [3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
The InChIKey is ONBCGJFKSHWHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6OS/c1-10-12(13(15-2)22-18-10)14(21)20-7-5-19(6-8-20)11-9-16-3-4-17-11/h3-4,9,15H,5-8H2,1-2H3.
What are the key properties of [3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
[3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone has a molecular weight of 318.41 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-5-(methylamino)-1,2-thiazol-4-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 32647409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).