N-(1,3-benzothiazol-6-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide

C13H15N3O3S2 — CID 107805198

IUPACN-(1,3-benzothiazol-6-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
SMILESO=C(CC1CS(=O)(=O)CCN1)Nc1ccc2ncsc2c1
InChIInChI=1S/C13H15N3O3S2/c17-13(6-10-7-21(18,19)4-3-14-10)16-9-1-2-11-12(5-9)20-8-15-11/h1-2,5,8,10,14H,3-4,6-7H2,(H,16,17)
InChIKeyQUBZEKDSJXHDQP-UHFFFAOYSA-N
MW325.42 g/mol
LogP1.01
Rot. Bonds3

About N-(1,3-benzothiazol-6-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide

N-(1,3-benzothiazol-6-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide (PubChem CID 107805198) has the molecular formula C13H15N3O3S2 and a molecular weight of 325.42 g/mol. Its IUPAC name is N-(1,3-benzothiazol-6-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-6-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
PubChem CID107805198
Molecular FormulaC13H15N3O3S2
Molecular Weight325.42 g/mol
Exact Mass325.06
IUPAC NameN-(1,3-benzothiazol-6-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
SMILESO=C(CC1CS(=O)(=O)CCN1)Nc1ccc2ncsc2c1
InChIInChI=1S/C13H15N3O3S2/c17-13(6-10-7-21(18,19)4-3-14-10)16-9-1-2-11-12(5-9)20-8-15-11/h1-2,5,8,10,14H,3-4,6-7H2,(H,16,17)
InChIKeyQUBZEKDSJXHDQP-UHFFFAOYSA-N
XLogP1.01
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-pyridin-4-ylacetamide
CID 80519870
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(4-iodophenyl)acetamide
CID 80519811
N-(3-acetylphenyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 80518042
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(3-iodo-4-methylphenyl)acetamide
CID 80519865
N-(3-chloro-4-methylphenyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 80520493
N-(1,3-benzothiazol-6-yl)-2-piperidin-4-ylsulfanylacetamide
CID 107805145
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(1H-indol-5-yl)acetamide
CID 80518373
2-(1,1-dioxo-1,4-thiazinan-3-yl)-N-(3,4,5-trifluorophenyl)acetamide
CID 80518213
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1,3-benzothiazol-6-yl)acetamide;hydrochloride
CID 119734492
N-(1,3-benzothiazol-2-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 80520523
N-(3-bromo-2-pyridinyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 80520883
N-(2,6-dibromophenyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 107599760

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-6-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide?
The IUPAC name of N-(1,3-benzothiazol-6-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide (CID 107805198) is N-(1,3-benzothiazol-6-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide.
What is the SMILES notation for N-(1,3-benzothiazol-6-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide?
The canonical SMILES for N-(1,3-benzothiazol-6-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide is O=C(CC1CS(=O)(=O)CCN1)Nc1ccc2ncsc2c1.
What is the InChIKey of N-(1,3-benzothiazol-6-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide?
The InChIKey is QUBZEKDSJXHDQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S2/c17-13(6-10-7-21(18,19)4-3-14-10)16-9-1-2-11-12(5-9)20-8-15-11/h1-2,5,8,10,14H,3-4,6-7H2,(H,16,17).
What are the key properties of N-(1,3-benzothiazol-6-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide?
N-(1,3-benzothiazol-6-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide has a molecular weight of 325.42 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-6-yl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide is sourced from PubChem (CID 107805198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).