2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]acetamide

C14H13N5O2S — CID 164621499

IUPAC2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]acetamide
SMILESC[C@H](NC(=O)Cn1nnc2ccccc2c1=O)c1nccs1
InChIInChI=1S/C14H13N5O2S/c1-9(13-15-6-7-22-13)16-12(20)8-19-14(21)10-4-2-3-5-11(10)17-18-19/h2-7,9H,8H2,1H3,(H,16,20)/t9-/m0/s1
InChIKeyZGFHCSSSEPGNFT-VIFPVBQESA-N
MW315.36 g/mol
LogP1.13
Rot. Bonds4

About 2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]acetamide

2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]acetamide (PubChem CID 164621499) has the molecular formula C14H13N5O2S and a molecular weight of 315.36 g/mol. Its IUPAC name is 2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]acetamide
PubChem CID164621499
Molecular FormulaC14H13N5O2S
Molecular Weight315.36 g/mol
Exact Mass315.08
IUPAC Name2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]acetamide
SMILESC[C@H](NC(=O)Cn1nnc2ccccc2c1=O)c1nccs1
InChIInChI=1S/C14H13N5O2S/c1-9(13-15-6-7-22-13)16-12(20)8-19-14(21)10-4-2-3-5-11(10)17-18-19/h2-7,9H,8H2,1H3,(H,16,20)/t9-/m0/s1
InChIKeyZGFHCSSSEPGNFT-VIFPVBQESA-N
XLogP1.13
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.36
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]acetamide?
The IUPAC name of 2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]acetamide (CID 164621499) is 2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]acetamide is C[C@H](NC(=O)Cn1nnc2ccccc2c1=O)c1nccs1.
What is the InChIKey of 2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]acetamide?
The InChIKey is ZGFHCSSSEPGNFT-VIFPVBQESA-N. The full InChI is InChI=1S/C14H13N5O2S/c1-9(13-15-6-7-22-13)16-12(20)8-19-14(21)10-4-2-3-5-11(10)17-18-19/h2-7,9H,8H2,1H3,(H,16,20)/t9-/m0/s1.
What are the key properties of 2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]acetamide?
2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]acetamide has a molecular weight of 315.36 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 164621499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).