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

C12H13N5O2S — CID 72719997

IUPACN-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)-2-pyrazol-1-ylacetamide
SMILESO=C(Cn1cccn1)Nc1nc2c(s1)C(=O)NCCC2
InChIInChI=1S/C12H13N5O2S/c18-9(7-17-6-2-5-14-17)16-12-15-8-3-1-4-13-11(19)10(8)20-12/h2,5-6H,1,3-4,7H2,(H,13,19)(H,15,16,18)
InChIKeyQCILWQFNELPYCD-UHFFFAOYSA-N
MW291.34 g/mol
LogP0.65
Rot. Bonds3

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

N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)-2-pyrazol-1-ylacetamide (PubChem CID 72719997) has the molecular formula C12H13N5O2S and a molecular weight of 291.34 g/mol. Its IUPAC name is N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)-2-pyrazol-1-ylacetamide.

Molecular Properties

Compound NameN-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)-2-pyrazol-1-ylacetamide
PubChem CID72719997
Molecular FormulaC12H13N5O2S
Molecular Weight291.34 g/mol
Exact Mass291.08
IUPAC NameN-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)-2-pyrazol-1-ylacetamide
SMILESO=C(Cn1cccn1)Nc1nc2c(s1)C(=O)NCCC2
InChIInChI=1S/C12H13N5O2S/c18-9(7-17-6-2-5-14-17)16-12-15-8-3-1-4-13-11(19)10(8)20-12/h2,5-6H,1,3-4,7H2,(H,13,19)(H,15,16,18)
InChIKeyQCILWQFNELPYCD-UHFFFAOYSA-N
XLogP0.65
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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-pyrazol-1-ylacetamide?
The IUPAC name of N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)-2-pyrazol-1-ylacetamide (CID 72719997) is N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)-2-pyrazol-1-ylacetamide.
What is the SMILES notation for N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)-2-pyrazol-1-ylacetamide?
The canonical SMILES for N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)-2-pyrazol-1-ylacetamide is O=C(Cn1cccn1)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-pyrazol-1-ylacetamide?
The InChIKey is QCILWQFNELPYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O2S/c18-9(7-17-6-2-5-14-17)16-12-15-8-3-1-4-13-11(19)10(8)20-12/h2,5-6H,1,3-4,7H2,(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-pyrazol-1-ylacetamide?
N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)-2-pyrazol-1-ylacetamide has a molecular weight of 291.34 g/mol, XLogP of 0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 6 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-pyrazol-1-ylacetamide is sourced from PubChem (CID 72719997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).