[1-(1,3-benzothiazol-2-yl)-5-methyltriazol-4-yl]-morpholin-4-ylmethanone

C15H15N5O2S — CID 1499975

IUPAC[1-(1,3-benzothiazol-2-yl)-5-methyltriazol-4-yl]-morpholin-4-ylmethanone
SMILESCc1c(C(=O)N2CCOCC2)nnn1-c1nc2ccccc2s1
InChIInChI=1S/C15H15N5O2S/c1-10-13(14(21)19-6-8-22-9-7-19)17-18-20(10)15-16-11-4-2-3-5-12(11)23-15/h2-5H,6-9H2,1H3
InChIKeyJJDFCTRVMPELIE-UHFFFAOYSA-N
MW329.38 g/mol
LogP1.66
Rot. Bonds2

About [1-(1,3-benzothiazol-2-yl)-5-methyltriazol-4-yl]-morpholin-4-ylmethanone

[1-(1,3-benzothiazol-2-yl)-5-methyltriazol-4-yl]-morpholin-4-ylmethanone (PubChem CID 1499975) has the molecular formula C15H15N5O2S and a molecular weight of 329.38 g/mol. Its IUPAC name is [1-(1,3-benzothiazol-2-yl)-5-methyltriazol-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-(1,3-benzothiazol-2-yl)-5-methyltriazol-4-yl]-morpholin-4-ylmethanone
PubChem CID1499975
Molecular FormulaC15H15N5O2S
Molecular Weight329.38 g/mol
Exact Mass329.09
IUPAC Name[1-(1,3-benzothiazol-2-yl)-5-methyltriazol-4-yl]-morpholin-4-ylmethanone
SMILESCc1c(C(=O)N2CCOCC2)nnn1-c1nc2ccccc2s1
InChIInChI=1S/C15H15N5O2S/c1-10-13(14(21)19-6-8-22-9-7-19)17-18-20(10)15-16-11-4-2-3-5-12(11)23-15/h2-5H,6-9H2,1H3
InChIKeyJJDFCTRVMPELIE-UHFFFAOYSA-N
XLogP1.66
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-(1,3-benzothiazol-2-yl)-5-methyltriazol-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-(1,3-benzothiazol-2-yl)-5-methyltriazol-4-yl]-morpholin-4-ylmethanone (CID 1499975) is [1-(1,3-benzothiazol-2-yl)-5-methyltriazol-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-(1,3-benzothiazol-2-yl)-5-methyltriazol-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-(1,3-benzothiazol-2-yl)-5-methyltriazol-4-yl]-morpholin-4-ylmethanone is Cc1c(C(=O)N2CCOCC2)nnn1-c1nc2ccccc2s1.
What is the InChIKey of [1-(1,3-benzothiazol-2-yl)-5-methyltriazol-4-yl]-morpholin-4-ylmethanone?
The InChIKey is JJDFCTRVMPELIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2S/c1-10-13(14(21)19-6-8-22-9-7-19)17-18-20(10)15-16-11-4-2-3-5-12(11)23-15/h2-5H,6-9H2,1H3.
What are the key properties of [1-(1,3-benzothiazol-2-yl)-5-methyltriazol-4-yl]-morpholin-4-ylmethanone?
[1-(1,3-benzothiazol-2-yl)-5-methyltriazol-4-yl]-morpholin-4-ylmethanone has a molecular weight of 329.38 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,3-benzothiazol-2-yl)-5-methyltriazol-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 1499975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).