2-(benzimidazol-1-yl)-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)acetamide

C16H15N5O2S — CID 72719960

IUPAC2-(benzimidazol-1-yl)-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)acetamide
SMILESO=C(Cn1cnc2ccccc21)Nc1nc2c(s1)C(=O)NCCC2
InChIInChI=1S/C16H15N5O2S/c22-13(8-21-9-18-10-4-1-2-6-12(10)21)20-16-19-11-5-3-7-17-15(23)14(11)24-16/h1-2,4,6,9H,3,5,7-8H2,(H,17,23)(H,19,20,22)
InChIKeyTXSPUWUDCWOYON-UHFFFAOYSA-N
MW341.40 g/mol
LogP1.81
Rot. Bonds3

About 2-(benzimidazol-1-yl)-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)acetamide

2-(benzimidazol-1-yl)-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)acetamide (PubChem CID 72719960) has the molecular formula C16H15N5O2S and a molecular weight of 341.40 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)acetamide.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)acetamide
PubChem CID72719960
Molecular FormulaC16H15N5O2S
Molecular Weight341.40 g/mol
Exact Mass341.09
IUPAC Name2-(benzimidazol-1-yl)-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)acetamide
SMILESO=C(Cn1cnc2ccccc21)Nc1nc2c(s1)C(=O)NCCC2
InChIInChI=1S/C16H15N5O2S/c22-13(8-21-9-18-10-4-1-2-6-12(10)21)20-16-19-11-5-3-7-17-15(23)14(11)24-16/h1-2,4,6,9H,3,5,7-8H2,(H,17,23)(H,19,20,22)
InChIKeyTXSPUWUDCWOYON-UHFFFAOYSA-N
XLogP1.81
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.40
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)acetamide?
The IUPAC name of 2-(benzimidazol-1-yl)-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)acetamide (CID 72719960) is 2-(benzimidazol-1-yl)-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)acetamide.
What is the SMILES notation for 2-(benzimidazol-1-yl)-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)acetamide?
The canonical SMILES for 2-(benzimidazol-1-yl)-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)acetamide is O=C(Cn1cnc2ccccc21)Nc1nc2c(s1)C(=O)NCCC2.
What is the InChIKey of 2-(benzimidazol-1-yl)-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)acetamide?
The InChIKey is TXSPUWUDCWOYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2S/c22-13(8-21-9-18-10-4-1-2-6-12(10)21)20-16-19-11-5-3-7-17-15(23)14(11)24-16/h1-2,4,6,9H,3,5,7-8H2,(H,17,23)(H,19,20,22).
What are the key properties of 2-(benzimidazol-1-yl)-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)acetamide?
2-(benzimidazol-1-yl)-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)acetamide has a molecular weight of 341.40 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)acetamide is sourced from PubChem (CID 72719960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).