1,3-benzothiazol-6-yl-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone

C19H18N6OS — CID 118472612

IUPAC1,3-benzothiazol-6-yl-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
SMILESCc1cc(C2CCCN(C(=O)c3ccc4ncsc4c3)C2)n2ncnc2n1
InChIInChI=1S/C19H18N6OS/c1-12-7-16(25-19(23-12)20-10-22-25)14-3-2-6-24(9-14)18(26)13-4-5-15-17(8-13)27-11-21-15/h4-5,7-8,10-11,14H,2-3,6,9H2,1H3
InChIKeySYSWEXQEZWVHNM-UHFFFAOYSA-N
MW378.46 g/mol
LogP3.06
Rot. Bonds2

About 1,3-benzothiazol-6-yl-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone

1,3-benzothiazol-6-yl-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone (PubChem CID 118472612) has the molecular formula C19H18N6OS and a molecular weight of 378.46 g/mol. Its IUPAC name is 1,3-benzothiazol-6-yl-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name1,3-benzothiazol-6-yl-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
PubChem CID118472612
Molecular FormulaC19H18N6OS
Molecular Weight378.46 g/mol
Exact Mass378.13
IUPAC Name1,3-benzothiazol-6-yl-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
SMILESCc1cc(C2CCCN(C(=O)c3ccc4ncsc4c3)C2)n2ncnc2n1
InChIInChI=1S/C19H18N6OS/c1-12-7-16(25-19(23-12)20-10-22-25)14-3-2-6-24(9-14)18(26)13-4-5-15-17(8-13)27-11-21-15/h4-5,7-8,10-11,14H,2-3,6,9H2,1H3
InChIKeySYSWEXQEZWVHNM-UHFFFAOYSA-N
XLogP3.06
TPSA76.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,3-benzothiazol-6-yl-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone?
The IUPAC name of 1,3-benzothiazol-6-yl-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone (CID 118472612) is 1,3-benzothiazol-6-yl-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone.
What is the SMILES notation for 1,3-benzothiazol-6-yl-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone?
The canonical SMILES for 1,3-benzothiazol-6-yl-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone is Cc1cc(C2CCCN(C(=O)c3ccc4ncsc4c3)C2)n2ncnc2n1.
What is the InChIKey of 1,3-benzothiazol-6-yl-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone?
The InChIKey is SYSWEXQEZWVHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6OS/c1-12-7-16(25-19(23-12)20-10-22-25)14-3-2-6-24(9-14)18(26)13-4-5-15-17(8-13)27-11-21-15/h4-5,7-8,10-11,14H,2-3,6,9H2,1H3.
What are the key properties of 1,3-benzothiazol-6-yl-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone?
1,3-benzothiazol-6-yl-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone has a molecular weight of 378.46 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzothiazol-6-yl-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 118472612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).