2-(4-chloro-N-methylanilino)thieno[2,3-e][1,3]thiazin-4-one

C13H9ClN2OS2 — CID 118727812

IUPAC2-(4-chloro-N-methylanilino)thieno[2,3-e][1,3]thiazin-4-one
SMILESCN(c1ccc(Cl)cc1)c1nc(=O)c2sccc2s1
InChIInChI=1S/C13H9ClN2OS2/c1-16(9-4-2-8(14)3-5-9)13-15-12(17)11-10(19-13)6-7-18-11/h2-7H,1H3
InChIKeyPEUOKDCAXSLJNQ-UHFFFAOYSA-N
MW308.82 g/mol
LogP4.14
Rot. Bonds2

About 2-(4-chloro-N-methylanilino)thieno[2,3-e][1,3]thiazin-4-one

2-(4-chloro-N-methylanilino)thieno[2,3-e][1,3]thiazin-4-one (PubChem CID 118727812) has the molecular formula C13H9ClN2OS2 and a molecular weight of 308.82 g/mol. Its IUPAC name is 2-(4-chloro-N-methylanilino)thieno[2,3-e][1,3]thiazin-4-one.

Molecular Properties

Compound Name2-(4-chloro-N-methylanilino)thieno[2,3-e][1,3]thiazin-4-one
PubChem CID118727812
Molecular FormulaC13H9ClN2OS2
Molecular Weight308.82 g/mol
Exact Mass307.98
IUPAC Name2-(4-chloro-N-methylanilino)thieno[2,3-e][1,3]thiazin-4-one
SMILESCN(c1ccc(Cl)cc1)c1nc(=O)c2sccc2s1
InChIInChI=1S/C13H9ClN2OS2/c1-16(9-4-2-8(14)3-5-9)13-15-12(17)11-10(19-13)6-7-18-11/h2-7H,1H3
InChIKeyPEUOKDCAXSLJNQ-UHFFFAOYSA-N
XLogP4.14
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.82
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-chlorophenyl)-2-methylthieno[3,2-d]pyrimidin-4(3H)-one
CID 901567
2-(Methyl(phenyl)amino)-4H-thieno[3,2-d][1,3]thiazin-4-one
CID 3243363
[4-(4-Chlorophenyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 776050
2-(N-ethylanilino)-4-thieno[3,2-d][1,3]thiazinone
CID 3239036
2-(methylsulfanyl)-3-phenylthieno[3,2-d]pyrimidin-4(3H)-one
CID 5221753
3-(3-chlorophenyl)-2-methylthieno[3,2-d]pyrimidin-4(3H)-one
CID 901568
2-[4-(4-Chlorophenyl)piperazin-1-yl]thieno[3,2-d][1,3]thiazin-4-one
CID 6621291
5-chloro-N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide
CID 2104901
3-(4-chlorophenyl)-2-methylthieno[3,2-d]pyrimidin-4(3H)-one
CID 3594455
(Z)-5-chloro-N-(4,6-difluoro-3-propylbenzo[d]thiazol-2(3H)-ylidene)thiophene-2-carboxamide
CID 16833172
N-(4-chlorophenyl)-2-(5-methyl-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 178314813
3-(4-Chlorophenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 764205

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-N-methylanilino)thieno[2,3-e][1,3]thiazin-4-one?
The IUPAC name of 2-(4-chloro-N-methylanilino)thieno[2,3-e][1,3]thiazin-4-one (CID 118727812) is 2-(4-chloro-N-methylanilino)thieno[2,3-e][1,3]thiazin-4-one.
What is the SMILES notation for 2-(4-chloro-N-methylanilino)thieno[2,3-e][1,3]thiazin-4-one?
The canonical SMILES for 2-(4-chloro-N-methylanilino)thieno[2,3-e][1,3]thiazin-4-one is CN(c1ccc(Cl)cc1)c1nc(=O)c2sccc2s1.
What is the InChIKey of 2-(4-chloro-N-methylanilino)thieno[2,3-e][1,3]thiazin-4-one?
The InChIKey is PEUOKDCAXSLJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2OS2/c1-16(9-4-2-8(14)3-5-9)13-15-12(17)11-10(19-13)6-7-18-11/h2-7H,1H3.
What are the key properties of 2-(4-chloro-N-methylanilino)thieno[2,3-e][1,3]thiazin-4-one?
2-(4-chloro-N-methylanilino)thieno[2,3-e][1,3]thiazin-4-one has a molecular weight of 308.82 g/mol, XLogP of 4.14, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-N-methylanilino)thieno[2,3-e][1,3]thiazin-4-one is sourced from PubChem (CID 118727812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).