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

C11H12N6O2S — CID 72720006

IUPACN-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)-2-(1,2,4-triazol-1-yl)acetamide
SMILESO=C(Cn1cncn1)Nc1nc2c(s1)C(=O)NCCC2
InChIInChI=1S/C11H12N6O2S/c18-8(4-17-6-12-5-14-17)16-11-15-7-2-1-3-13-10(19)9(7)20-11/h5-6H,1-4H2,(H,13,19)(H,15,16,18)
InChIKeyKTMADOCAUURYIM-UHFFFAOYSA-N
MW292.32 g/mol
LogP0.05
Rot. Bonds3

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

N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)-2-(1,2,4-triazol-1-yl)acetamide (PubChem CID 72720006) has the molecular formula C11H12N6O2S and a molecular weight of 292.32 g/mol. Its IUPAC name is N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)-2-(1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)-2-(1,2,4-triazol-1-yl)acetamide
PubChem CID72720006
Molecular FormulaC11H12N6O2S
Molecular Weight292.32 g/mol
Exact Mass292.07
IUPAC NameN-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)-2-(1,2,4-triazol-1-yl)acetamide
SMILESO=C(Cn1cncn1)Nc1nc2c(s1)C(=O)NCCC2
InChIInChI=1S/C11H12N6O2S/c18-8(4-17-6-12-5-14-17)16-11-15-7-2-1-3-13-10(19)9(7)20-11/h5-6H,1-4H2,(H,13,19)(H,15,16,18)
InChIKeyKTMADOCAUURYIM-UHFFFAOYSA-N
XLogP0.05
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)-2-(1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)-2-(1,2,4-triazol-1-yl)acetamide (CID 72720006) is N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)-2-(1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)-2-(1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)-2-(1,2,4-triazol-1-yl)acetamide is O=C(Cn1cncn1)Nc1nc2c(s1)C(=O)NCCC2.
What is the InChIKey of N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)-2-(1,2,4-triazol-1-yl)acetamide?
The InChIKey is KTMADOCAUURYIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6O2S/c18-8(4-17-6-12-5-14-17)16-11-15-7-2-1-3-13-10(19)9(7)20-11/h5-6H,1-4H2,(H,13,19)(H,15,16,18).
What are the key properties of N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)-2-(1,2,4-triazol-1-yl)acetamide?
N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)-2-(1,2,4-triazol-1-yl)acetamide has a molecular weight of 292.32 g/mol, XLogP of 0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)-2-(1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 72720006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).