6-fluoro-4-hydroxy-2,5-dimethyl-1,1-dioxo-N-(1,3-thiazol-2-yl)thiazino[5,6-b]indole-3-carboxamide

C16H13FN4O4S2 — CID 150059198

IUPAC6-fluoro-4-hydroxy-2,5-dimethyl-1,1-dioxo-N-(1,3-thiazol-2-yl)thiazino[5,6-b]indole-3-carboxamide
SMILESCN1C(C(=O)Nc2nccs2)=C(O)c2c(c3cccc(F)c3n2C)S1(=O)=O
InChIInChI=1S/C16H13FN4O4S2/c1-20-10-8(4-3-5-9(10)17)14-11(20)13(22)12(21(2)27(14,24)25)15(23)19-16-18-6-7-26-16/h3-7,22H,1-2H3,(H,18,19,23)
InChIKeyDMXZUXBMMDXMQB-UHFFFAOYSA-N
MW408.44 g/mol
LogP2.27
Rot. Bonds2

About 6-fluoro-4-hydroxy-2,5-dimethyl-1,1-dioxo-N-(1,3-thiazol-2-yl)thiazino[5,6-b]indole-3-carboxamide

6-fluoro-4-hydroxy-2,5-dimethyl-1,1-dioxo-N-(1,3-thiazol-2-yl)thiazino[5,6-b]indole-3-carboxamide (PubChem CID 150059198) has the molecular formula C16H13FN4O4S2 and a molecular weight of 408.44 g/mol. Its IUPAC name is 6-fluoro-4-hydroxy-2,5-dimethyl-1,1-dioxo-N-(1,3-thiazol-2-yl)thiazino[5,6-b]indole-3-carboxamide.

Molecular Properties

Compound Name6-fluoro-4-hydroxy-2,5-dimethyl-1,1-dioxo-N-(1,3-thiazol-2-yl)thiazino[5,6-b]indole-3-carboxamide
PubChem CID150059198
Molecular FormulaC16H13FN4O4S2
Molecular Weight408.44 g/mol
Exact Mass408.04
IUPAC Name6-fluoro-4-hydroxy-2,5-dimethyl-1,1-dioxo-N-(1,3-thiazol-2-yl)thiazino[5,6-b]indole-3-carboxamide
SMILESCN1C(C(=O)Nc2nccs2)=C(O)c2c(c3cccc(F)c3n2C)S1(=O)=O
InChIInChI=1S/C16H13FN4O4S2/c1-20-10-8(4-3-5-9(10)17)14-11(20)13(22)12(21(2)27(14,24)25)15(23)19-16-18-6-7-26-16/h3-7,22H,1-2H3,(H,18,19,23)
InChIKeyDMXZUXBMMDXMQB-UHFFFAOYSA-N
XLogP2.27
TPSA104.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.44
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-fluoro-4-hydroxy-2,5-dimethyl-1,1-dioxo-N-(1,3-thiazol-2-yl)thiazino[5,6-b]indole-3-carboxamide with MolForge

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Related Compounds

2-ethyl-4-hydroxy-5-methyl-1,1-dioxo-N-(1,3-thiazol-2-yl)thiazino[5,6-b]indole-3-carboxamide
CID 54684972
2,3-difluoro-N-(1,3-thiazol-2-yl)benzamide
CID 62650804
4-hydroxy-2-methyl-N-(1,3-thiazol-2-yl)-1,2-benzothiazine-3-carboxamide
CID 54688181
7-chloro-3-hydroxy-2-methyl-1,1-dioxo-N-(1,3-thiazol-2-yl)-1λ6,2-benzothiazine-4-carboxamide
CID 10761767
3,5-difluoro-4-(methylamino)-N-(1,3-thiazol-2-yl)benzamide
CID 55160396
3-hydroxy-N-(1,3-thiazol-2-yl)benzamide
CID 17362164
1-methyl-N-(1,3-thiazol-2-yl)pyrrole-2-carboxamide
CID 2999793
ethane;4-hydroxy-2-methyl-1,1-dioxo-N-pyridin-2-ylthieno[2,3-e]thiazine-3-carboxamide
CID 90963457
4-hydroxy-2-methyl-N-(6-methyl-2-pyridinyl)-1,1-dioxothieno[2,3-e]thiazine-3-carboxamide
CID 54694104
3,5-difluoro-4-hydrazinyl-N-(1,3-thiazol-2-yl)benzamide
CID 63186769
4-hydroxy-1-methyl-2,2-dioxo-N-(1,3-thiazol-2-yl)-3H-2λ6,1-benzothiazepine-5-carboxamide
CID 54693810
1,3-dimethyl-2,4-dioxo-N-(1,3-thiazol-2-yl)pyrimidine-5-carboxamide
CID 84560983

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-hydroxy-2,5-dimethyl-1,1-dioxo-N-(1,3-thiazol-2-yl)thiazino[5,6-b]indole-3-carboxamide?
The IUPAC name of 6-fluoro-4-hydroxy-2,5-dimethyl-1,1-dioxo-N-(1,3-thiazol-2-yl)thiazino[5,6-b]indole-3-carboxamide (CID 150059198) is 6-fluoro-4-hydroxy-2,5-dimethyl-1,1-dioxo-N-(1,3-thiazol-2-yl)thiazino[5,6-b]indole-3-carboxamide.
What is the SMILES notation for 6-fluoro-4-hydroxy-2,5-dimethyl-1,1-dioxo-N-(1,3-thiazol-2-yl)thiazino[5,6-b]indole-3-carboxamide?
The canonical SMILES for 6-fluoro-4-hydroxy-2,5-dimethyl-1,1-dioxo-N-(1,3-thiazol-2-yl)thiazino[5,6-b]indole-3-carboxamide is CN1C(C(=O)Nc2nccs2)=C(O)c2c(c3cccc(F)c3n2C)S1(=O)=O.
What is the InChIKey of 6-fluoro-4-hydroxy-2,5-dimethyl-1,1-dioxo-N-(1,3-thiazol-2-yl)thiazino[5,6-b]indole-3-carboxamide?
The InChIKey is DMXZUXBMMDXMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O4S2/c1-20-10-8(4-3-5-9(10)17)14-11(20)13(22)12(21(2)27(14,24)25)15(23)19-16-18-6-7-26-16/h3-7,22H,1-2H3,(H,18,19,23).
What are the key properties of 6-fluoro-4-hydroxy-2,5-dimethyl-1,1-dioxo-N-(1,3-thiazol-2-yl)thiazino[5,6-b]indole-3-carboxamide?
6-fluoro-4-hydroxy-2,5-dimethyl-1,1-dioxo-N-(1,3-thiazol-2-yl)thiazino[5,6-b]indole-3-carboxamide has a molecular weight of 408.44 g/mol, XLogP of 2.27, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-hydroxy-2,5-dimethyl-1,1-dioxo-N-(1,3-thiazol-2-yl)thiazino[5,6-b]indole-3-carboxamide is sourced from PubChem (CID 150059198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).