N-(6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3]thiazin-3-yl)-3-methoxybenzamide

C13H14N4O2S — CID 27444840

IUPACN-(6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3]thiazin-3-yl)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2nnc3n2CCCS3)c1
InChIInChI=1S/C13H14N4O2S/c1-19-10-5-2-4-9(8-10)11(18)14-12-15-16-13-17(12)6-3-7-20-13/h2,4-5,8H,3,6-7H2,1H3,(H,14,15,18)
InChIKeyXZISKKPMDPXNBG-UHFFFAOYSA-N
MW290.35 g/mol
LogP2.03
Rot. Bonds3

About N-(6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3]thiazin-3-yl)-3-methoxybenzamide

N-(6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3]thiazin-3-yl)-3-methoxybenzamide (PubChem CID 27444840) has the molecular formula C13H14N4O2S and a molecular weight of 290.35 g/mol. Its IUPAC name is N-(6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3]thiazin-3-yl)-3-methoxybenzamide.

Molecular Properties

Compound NameN-(6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3]thiazin-3-yl)-3-methoxybenzamide
PubChem CID27444840
Molecular FormulaC13H14N4O2S
Molecular Weight290.35 g/mol
Exact Mass290.08
IUPAC NameN-(6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3]thiazin-3-yl)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2nnc3n2CCCS3)c1
InChIInChI=1S/C13H14N4O2S/c1-19-10-5-2-4-9(8-10)11(18)14-12-15-16-13-17(12)6-3-7-20-13/h2,4-5,8H,3,6-7H2,1H3,(H,14,15,18)
InChIKeyXZISKKPMDPXNBG-UHFFFAOYSA-N
XLogP2.03
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3]thiazin-3-yl)-3-methoxybenzamide with MolForge

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Related Compounds

N-(1-ethyltetrazol-5-yl)-3-methoxybenzamide
CID 925659
3-methoxy-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]benzamide
CID 2669753
3-methoxy-N-(11-oxo-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-2-yl)benzamide
CID 24747964
N-(1-cyanocycloheptyl)-3-methoxybenzamide
CID 60967258
3-methoxy-N-(2-methyl-3-oxo-1,2,4-thiadiazol-5-yl)benzamide
CID 15178554
3-methoxy-N-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]benzamide
CID 47017151
3-methoxy-N-(5-piperazin-1-yl-2-pyridinyl)benzamide
CID 119494679
3-methoxy-N-(2-methyltriazol-4-yl)benzamide
CID 112535277
N-(3-cyanothiophen-2-yl)-3-methoxybenzamide
CID 2377141
methyl 2-[(3-methoxybenzoyl)amino]-5-propan-2-yl-1,3-thiazole-4-carboxylate
CID 87301133
3-methoxy-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]benzamide
CID 71790006
methyl 4-[(3-methoxybenzoyl)amino]-1,3-dimethylpyrazole-5-carboxylate
CID 95749076

Frequently Asked Questions

What is the IUPAC name of N-(6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3]thiazin-3-yl)-3-methoxybenzamide?
The IUPAC name of N-(6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3]thiazin-3-yl)-3-methoxybenzamide (CID 27444840) is N-(6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3]thiazin-3-yl)-3-methoxybenzamide.
What is the SMILES notation for N-(6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3]thiazin-3-yl)-3-methoxybenzamide?
The canonical SMILES for N-(6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3]thiazin-3-yl)-3-methoxybenzamide is COc1cccc(C(=O)Nc2nnc3n2CCCS3)c1.
What is the InChIKey of N-(6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3]thiazin-3-yl)-3-methoxybenzamide?
The InChIKey is XZISKKPMDPXNBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2S/c1-19-10-5-2-4-9(8-10)11(18)14-12-15-16-13-17(12)6-3-7-20-13/h2,4-5,8H,3,6-7H2,1H3,(H,14,15,18).
What are the key properties of N-(6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3]thiazin-3-yl)-3-methoxybenzamide?
N-(6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3]thiazin-3-yl)-3-methoxybenzamide has a molecular weight of 290.35 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3]thiazin-3-yl)-3-methoxybenzamide is sourced from PubChem (CID 27444840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).