2H-Thieno(2,3-e)-1,2-thiazine-3-carboxamide, 6-chloro-2-methyl-N-(2-pyridinyl)-4-(2-pyridinylamino)-, 1,1-dioxide

C18H14ClN5O3S2 — CID 3078936

IUPAC6-chloro-2-methyl-1,1-dioxo-N-pyridin-2-yl-4-(pyridin-2-ylamino)thieno[2,3-e]thiazine-3-carboxamide
SMILESCN1C(=C(C2=C(S1(=O)=O)C=C(S2)Cl)NC3=CC=CC=N3)C(=O)NC4=CC=CC=N4
InChIInChI=1S/C18H14ClN5O3S2/c1-24-16(18(25)23-14-7-3-5-9-21-14)15(22-13-6-2-4-8-20-13)17-11(29(24,26)27)10-12(19)28-17/h2-10H,1H3,(H,20,22)(H,21,23,25)
InChIKeyWMANCVNHWLMOGE-UHFFFAOYSA-N
MW447.90 g/mol
LogP3.30
Rot. Bonds4

About 2H-Thieno(2,3-e)-1,2-thiazine-3-carboxamide, 6-chloro-2-methyl-N-(2-pyridinyl)-4-(2-pyridinylamino)-, 1,1-dioxide

2H-Thieno(2,3-e)-1,2-thiazine-3-carboxamide, 6-chloro-2-methyl-N-(2-pyridinyl)-4-(2-pyridinylamino)-, 1,1-dioxide (PubChem CID 3078936) has the molecular formula C18H14ClN5O3S2 and a molecular weight of 447.90 g/mol. Its IUPAC name is 6-chloro-2-methyl-1,1-dioxo-N-pyridin-2-yl-4-(pyridin-2-ylamino)thieno[2,3-e]thiazine-3-carboxamide.

Molecular Properties

Compound Name2H-Thieno(2,3-e)-1,2-thiazine-3-carboxamide, 6-chloro-2-methyl-N-(2-pyridinyl)-4-(2-pyridinylamino)-, 1,1-dioxide
PubChem CID3078936
Molecular FormulaC18H14ClN5O3S2
Molecular Weight447.90 g/mol
Exact Mass447.02
IUPAC Name6-chloro-2-methyl-1,1-dioxo-N-pyridin-2-yl-4-(pyridin-2-ylamino)thieno[2,3-e]thiazine-3-carboxamide
SMILESCN1C(=C(C2=C(S1(=O)=O)C=C(S2)Cl)NC3=CC=CC=N3)C(=O)NC4=CC=CC=N4
InChIInChI=1S/C18H14ClN5O3S2/c1-24-16(18(25)23-14-7-3-5-9-21-14)15(22-13-6-2-4-8-20-13)17-11(29(24,26)27)10-12(19)28-17/h2-10H,1H3,(H,20,22)(H,21,23,25)
InChIKeyWMANCVNHWLMOGE-UHFFFAOYSA-N
XLogP3.30
TPSA141.00 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity772

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.90
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2H-Thieno(2,3-e)-1,2-thiazine-3-carboxamide, 6-chloro-2-methyl-N-(2-pyridinyl)-4-(2-pyridinylamino)-, 1,1-dioxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Lornoxicam
CID 54690031
6-chloro-2-methyl-1,1,4-trioxo-N-pyridin-2-yl-3H-thieno[2,3-e]thiazine-3-carboxamide
CID 17756939
N-(5-chloro-2-pyridinyl)-1-(2-thienylsulfonyl)-4-piperidinecarboxamide
CID 2082265
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(5-chloropyridin-2-yl)acetamide
CID 6470621
2-[ethyl-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 4841714
N-[4-[5-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide
CID 118249145
2H-Thieno(2,3-e)-1,2-thiazine-3-carboxamide, 6-chloro-2-methyl-4-((3-methyl-2-buten-1-yl)oxy)-N-2-pyridinyl-, 1,1-dioxide
CID 3078933
2H-Thieno(2,3-e)-1,2-thiazine-3-carboxamide, 6-chloro-4-(1,3,2-dioxaphosphorinan-2-yloxy)-2-methyl-N-pyridinyl-, P,1,1-trioxide
CID 3078938
1-[(5-chlorothiophen-2-yl)sulfonyl]-N-(6-methylpyridin-2-yl)piperidine-2-carboxamide
CID 16801816
4-(5-Chloro-4-methylthiophen-2-yl)sulfonyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one
CID 122144581
1-(5-Chlorothiophen-2-yl)sulfonyl-3-[6-[1-hydroxy-3-oxo-7-(trifluoromethyl)isoquinolin-2-yl]-3-pyridinyl]urea
CID 90866228
1-(5-Chlorothiophen-2-yl)sulfonyl-3-[6-[1-hydroxy-3-oxo-6-(2,2,2-trifluoroethylamino)isoquinolin-2-yl]-3-pyridinyl]urea
CID 90889831

Frequently Asked Questions

What is the IUPAC name of 2H-Thieno(2,3-e)-1,2-thiazine-3-carboxamide, 6-chloro-2-methyl-N-(2-pyridinyl)-4-(2-pyridinylamino)-, 1,1-dioxide?
The IUPAC name of 2H-Thieno(2,3-e)-1,2-thiazine-3-carboxamide, 6-chloro-2-methyl-N-(2-pyridinyl)-4-(2-pyridinylamino)-, 1,1-dioxide (CID 3078936) is 6-chloro-2-methyl-1,1-dioxo-N-pyridin-2-yl-4-(pyridin-2-ylamino)thieno[2,3-e]thiazine-3-carboxamide.
What is the SMILES notation for 2H-Thieno(2,3-e)-1,2-thiazine-3-carboxamide, 6-chloro-2-methyl-N-(2-pyridinyl)-4-(2-pyridinylamino)-, 1,1-dioxide?
The canonical SMILES for 2H-Thieno(2,3-e)-1,2-thiazine-3-carboxamide, 6-chloro-2-methyl-N-(2-pyridinyl)-4-(2-pyridinylamino)-, 1,1-dioxide is CN1C(=C(C2=C(S1(=O)=O)C=C(S2)Cl)NC3=CC=CC=N3)C(=O)NC4=CC=CC=N4.
What is the InChIKey of 2H-Thieno(2,3-e)-1,2-thiazine-3-carboxamide, 6-chloro-2-methyl-N-(2-pyridinyl)-4-(2-pyridinylamino)-, 1,1-dioxide?
The InChIKey is WMANCVNHWLMOGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN5O3S2/c1-24-16(18(25)23-14-7-3-5-9-21-14)15(22-13-6-2-4-8-20-13)17-11(29(24,26)27)10-12(19)28-17/h2-10H,1H3,(H,20,22)(H,21,23,25).
What are the key properties of 2H-Thieno(2,3-e)-1,2-thiazine-3-carboxamide, 6-chloro-2-methyl-N-(2-pyridinyl)-4-(2-pyridinylamino)-, 1,1-dioxide?
2H-Thieno(2,3-e)-1,2-thiazine-3-carboxamide, 6-chloro-2-methyl-N-(2-pyridinyl)-4-(2-pyridinylamino)-, 1,1-dioxide has a molecular weight of 447.90 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-Thieno(2,3-e)-1,2-thiazine-3-carboxamide, 6-chloro-2-methyl-N-(2-pyridinyl)-4-(2-pyridinylamino)-, 1,1-dioxide is sourced from PubChem (CID 3078936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).