N-(7-methyl-4-oxothieno[3,2-d][1,3]thiazin-2-yl)thiophene-2-carboxamide

C12H8N2O2S3 — CID 2810073

IUPACN-(7-methyl-4-oxothieno[3,2-d][1,3]thiazin-2-yl)thiophene-2-carboxamide
SMILESCc1csc2c(=O)sc(NC(=O)c3cccs3)nc12
InChIInChI=1S/C12H8N2O2S3/c1-6-5-18-9-8(6)13-12(19-11(9)16)14-10(15)7-3-2-4-17-7/h2-5H,1H3,(H,13,14,15)
InChIKeyHHXGGNANPXOBHN-UHFFFAOYSA-N
MW308.41 g/mol
LogP3.34
Rot. Bonds2

About N-(7-methyl-4-oxothieno[3,2-d][1,3]thiazin-2-yl)thiophene-2-carboxamide

N-(7-methyl-4-oxothieno[3,2-d][1,3]thiazin-2-yl)thiophene-2-carboxamide (PubChem CID 2810073) has the molecular formula C12H8N2O2S3 and a molecular weight of 308.41 g/mol. Its IUPAC name is N-(7-methyl-4-oxothieno[3,2-d][1,3]thiazin-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(7-methyl-4-oxothieno[3,2-d][1,3]thiazin-2-yl)thiophene-2-carboxamide
PubChem CID2810073
Molecular FormulaC12H8N2O2S3
Molecular Weight308.41 g/mol
Exact Mass307.97
IUPAC NameN-(7-methyl-4-oxothieno[3,2-d][1,3]thiazin-2-yl)thiophene-2-carboxamide
SMILESCc1csc2c(=O)sc(NC(=O)c3cccs3)nc12
InChIInChI=1S/C12H8N2O2S3/c1-6-5-18-9-8(6)13-12(19-11(9)16)14-10(15)7-3-2-4-17-7/h2-5H,1H3,(H,13,14,15)
InChIKeyHHXGGNANPXOBHN-UHFFFAOYSA-N
XLogP3.34
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-fluoro-N-(4-oxothieno[3,2-d][1,3]thiazin-2-yl)benzamide
CID 2810153
4-fluoro-N-(7-methyl-4-oxo-2-thieno[3,2-d][1,3]thiazinyl)benzamide
CID 2810154
N-(4-oxo-4H-thieno[3,2-d][1,3]thiazin-2-yl)cyclobutanecarboxamide
CID 2810229
2-(Benzylsulfanyl)thieno[3,2-d]pyrimidin-4-ol
CID 135439659
2-(5,6-Dimethyl-4-oxo-3,4-dihydro-thieno[2,3-d]pyrimidin-2-ylsulfanyl)-N-thiophen-2-ylmethyl-acetamide
CID 644587
N-(4-oxothieno[3,2-d][1,3]thiazin-2-yl)-4-phenylbutanamide
CID 71681055
6-Oxo-2-{[2-oxo-2-(2-thienyl)ethyl]sulfanyl}-4-(2-thienyl)-1,6-dihydro-5-pyrimidinecarbonitrile
CID 135510992
2-methyl-N-(7-methyl-4-oxothieno[3,2-d][1,3]thiazin-2-yl)benzamide
CID 2810155
2-(benzylsulfanyl)-3-methylthieno[3,2-d]pyrimidin-4(3H)-one
CID 3799614
1,3-Dithenoyl-2-methylthio-pseudourea
CID 21449975
5,6-Dimethyl-2-(thiophen-2-yl)thieno[2,3-d]pyrimidin-4(3H)-one
CID 760981
2-(Methylthio)thieno[3,2-d]pyrimidin-4(3H)-one
CID 135473674

Frequently Asked Questions

What is the IUPAC name of N-(7-methyl-4-oxothieno[3,2-d][1,3]thiazin-2-yl)thiophene-2-carboxamide?
The IUPAC name of N-(7-methyl-4-oxothieno[3,2-d][1,3]thiazin-2-yl)thiophene-2-carboxamide (CID 2810073) is N-(7-methyl-4-oxothieno[3,2-d][1,3]thiazin-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(7-methyl-4-oxothieno[3,2-d][1,3]thiazin-2-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(7-methyl-4-oxothieno[3,2-d][1,3]thiazin-2-yl)thiophene-2-carboxamide is Cc1csc2c(=O)sc(NC(=O)c3cccs3)nc12.
What is the InChIKey of N-(7-methyl-4-oxothieno[3,2-d][1,3]thiazin-2-yl)thiophene-2-carboxamide?
The InChIKey is HHXGGNANPXOBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O2S3/c1-6-5-18-9-8(6)13-12(19-11(9)16)14-10(15)7-3-2-4-17-7/h2-5H,1H3,(H,13,14,15).
What are the key properties of N-(7-methyl-4-oxothieno[3,2-d][1,3]thiazin-2-yl)thiophene-2-carboxamide?
N-(7-methyl-4-oxothieno[3,2-d][1,3]thiazin-2-yl)thiophene-2-carboxamide has a molecular weight of 308.41 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-methyl-4-oxothieno[3,2-d][1,3]thiazin-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 2810073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).