N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide

C19H14FN3O2S2 — CID 37263770

IUPACN-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
SMILESO=C1CSc2ccc(C(=O)Nc3ncc(Cc4cccc(F)c4)s3)cc2N1
InChIInChI=1S/C19H14FN3O2S2/c20-13-3-1-2-11(6-13)7-14-9-21-19(27-14)23-18(25)12-4-5-16-15(8-12)22-17(24)10-26-16/h1-6,8-9H,7,10H2,(H,22,24)(H,21,23,25)
InChIKeyCSGKWRKOJZNAFT-UHFFFAOYSA-N
MW399.47 g/mol
LogP4.17
Rot. Bonds4

About N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide

N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide (PubChem CID 37263770) has the molecular formula C19H14FN3O2S2 and a molecular weight of 399.47 g/mol. Its IUPAC name is N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide.

Molecular Properties

Compound NameN-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
PubChem CID37263770
Molecular FormulaC19H14FN3O2S2
Molecular Weight399.47 g/mol
Exact Mass399.05
IUPAC NameN-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
SMILESO=C1CSc2ccc(C(=O)Nc3ncc(Cc4cccc(F)c4)s3)cc2N1
InChIInChI=1S/C19H14FN3O2S2/c20-13-3-1-2-11(6-13)7-14-9-21-19(27-14)23-18(25)12-4-5-16-15(8-12)22-17(24)10-26-16/h1-6,8-9H,7,10H2,(H,22,24)(H,21,23,25)
InChIKeyCSGKWRKOJZNAFT-UHFFFAOYSA-N
XLogP4.17
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(methanesulfonamido)benzamide
CID 37255354
N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(propanoylamino)benzamide
CID 55851836
3-(cyclopropylcarbamoylamino)-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]benzamide
CID 55909172
2-(3-fluorophenyl)-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 39221992
3-fluoro-N-(3-oxo-4H-1,4-benzothiazin-6-yl)benzamide
CID 35874940
N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-(methylsulfamoyl)benzamide
CID 37265916
methyl 2-[3-[[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]carbamoyl]phenoxy]acetate
CID 55873263
3-oxo-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-4H-1,4-benzothiazine-6-carboxamide
CID 35565242
3-fluoro-N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]benzamide
CID 110784744
3-oxo-N-phenyl-4H-1,4-benzothiazine-6-carboxamide
CID 24643274
2-(3-fluorophenyl)-N-[2-[[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]acetamide
CID 55791423
3-amino-N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]pyrazine-2-carboxamide
CID 37266027

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The IUPAC name of N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide (CID 37263770) is N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide.
What is the SMILES notation for N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The canonical SMILES for N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide is O=C1CSc2ccc(C(=O)Nc3ncc(Cc4cccc(F)c4)s3)cc2N1.
What is the InChIKey of N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The InChIKey is CSGKWRKOJZNAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O2S2/c20-13-3-1-2-11(6-13)7-14-9-21-19(27-14)23-18(25)12-4-5-16-15(8-12)22-17(24)10-26-16/h1-6,8-9H,7,10H2,(H,22,24)(H,21,23,25).
What are the key properties of N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide has a molecular weight of 399.47 g/mol, XLogP of 4.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide is sourced from PubChem (CID 37263770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).