N-(5-methyl-4-oxothieno[2,3-d][1,3]thiazin-2-yl)benzamide

C14H10N2O2S2 — CID 2809909

IUPACN-(5-methyl-4-oxothieno[2,3-d][1,3]thiazin-2-yl)benzamide
SMILESCc1csc2nc(NC(=O)c3ccccc3)sc(=O)c12
InChIInChI=1S/C14H10N2O2S2/c1-8-7-19-12-10(8)13(18)20-14(16-12)15-11(17)9-5-3-2-4-6-9/h2-7H,1H3,(H,15,16,17)
InChIKeyJUVLLUSYCAOUAI-UHFFFAOYSA-N
MW302.38 g/mol
LogP3.28
Rot. Bonds2

About N-(5-methyl-4-oxothieno[2,3-d][1,3]thiazin-2-yl)benzamide

N-(5-methyl-4-oxothieno[2,3-d][1,3]thiazin-2-yl)benzamide (PubChem CID 2809909) has the molecular formula C14H10N2O2S2 and a molecular weight of 302.38 g/mol. Its IUPAC name is N-(5-methyl-4-oxothieno[2,3-d][1,3]thiazin-2-yl)benzamide.

Molecular Properties

Compound NameN-(5-methyl-4-oxothieno[2,3-d][1,3]thiazin-2-yl)benzamide
PubChem CID2809909
Molecular FormulaC14H10N2O2S2
Molecular Weight302.38 g/mol
Exact Mass302.02
IUPAC NameN-(5-methyl-4-oxothieno[2,3-d][1,3]thiazin-2-yl)benzamide
SMILESCc1csc2nc(NC(=O)c3ccccc3)sc(=O)c12
InChIInChI=1S/C14H10N2O2S2/c1-8-7-19-12-10(8)13(18)20-14(16-12)15-11(17)9-5-3-2-4-6-9/h2-7H,1H3,(H,15,16,17)
InChIKeyJUVLLUSYCAOUAI-UHFFFAOYSA-N
XLogP3.28
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-phenyl-3H,4H-thieno[2,3-d]pyrimidin-4-one
CID 215639
5-(thiophen-2-yl)-3H,4H-thieno[2,3-d]pyrimidin-4-one
CID 665387
5-(4-methylphenyl)-3H,4H-thieno(2,3-d)pyrimidin-4-one
CID 731455
Thieno(2,3-d)pyrimidin-4(3H)-one, 3-amino-2-methyl-5-phenyl-
CID 206184
5-(4-fluorophenyl)-3H,4H-thieno(2,3-d)pyrimidin-4-one
CID 727600
2-[({4-oxo-5-phenyl-3H,4H-thieno[2,3-d]pyrimidin-2-yl}methyl)sulfanyl]acetic acid
CID 2414076
N-[4-(Aminomethyl)benzyl]-4-Oxo-3,4-Dihydrothieno[2,3-D]pyrimidine-5-Carboxamide
CID 71677804
5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4(3H)-one
CID 709311
5-Methyl-6-phenylthieno[2,3-d]pyrimidin-4(1H)-one
CID 673139
2-(chloromethyl)-6-methyl-5-phenyl-3H,4H-thieno(2,3-d)pyrimidin-4-one
CID 2393069
2-methyl-5-(thiophen-2-yl)-3H,4H-thieno[2,3-d]pyrimidin-4-one
CID 3301641
2-amino-6-ethyl-5-(4-fluorophenyl)sulfanyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 44221146

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-4-oxothieno[2,3-d][1,3]thiazin-2-yl)benzamide?
The IUPAC name of N-(5-methyl-4-oxothieno[2,3-d][1,3]thiazin-2-yl)benzamide (CID 2809909) is N-(5-methyl-4-oxothieno[2,3-d][1,3]thiazin-2-yl)benzamide.
What is the SMILES notation for N-(5-methyl-4-oxothieno[2,3-d][1,3]thiazin-2-yl)benzamide?
The canonical SMILES for N-(5-methyl-4-oxothieno[2,3-d][1,3]thiazin-2-yl)benzamide is Cc1csc2nc(NC(=O)c3ccccc3)sc(=O)c12.
What is the InChIKey of N-(5-methyl-4-oxothieno[2,3-d][1,3]thiazin-2-yl)benzamide?
The InChIKey is JUVLLUSYCAOUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2S2/c1-8-7-19-12-10(8)13(18)20-14(16-12)15-11(17)9-5-3-2-4-6-9/h2-7H,1H3,(H,15,16,17).
What are the key properties of N-(5-methyl-4-oxothieno[2,3-d][1,3]thiazin-2-yl)benzamide?
N-(5-methyl-4-oxothieno[2,3-d][1,3]thiazin-2-yl)benzamide has a molecular weight of 302.38 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-4-oxothieno[2,3-d][1,3]thiazin-2-yl)benzamide is sourced from PubChem (CID 2809909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).