2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carboxamide

C19H21FN4OS2 — CID 43968614

IUPAC2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carboxamide
SMILESCC1(C)Cc2c(sc(Nc3nc4ccc(F)cc4s3)c2C(N)=O)C(C)(C)N1
InChIInChI=1S/C19H21FN4OS2/c1-18(2)8-10-13(15(21)25)16(27-14(10)19(3,4)24-18)23-17-22-11-6-5-9(20)7-12(11)26-17/h5-7,24H,8H2,1-4H3,(H2,21,25)(H,22,23)
InChIKeyVYYOCJCTRQJZIM-UHFFFAOYSA-N
MW404.54 g/mol
LogP4.50
Rot. Bonds3

About 2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carboxamide

2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carboxamide (PubChem CID 43968614) has the molecular formula C19H21FN4OS2 and a molecular weight of 404.54 g/mol. Its IUPAC name is 2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carboxamide
PubChem CID43968614
Molecular FormulaC19H21FN4OS2
Molecular Weight404.54 g/mol
Exact Mass404.11
IUPAC Name2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carboxamide
SMILESCC1(C)Cc2c(sc(Nc3nc4ccc(F)cc4s3)c2C(N)=O)C(C)(C)N1
InChIInChI=1S/C19H21FN4OS2/c1-18(2)8-10-13(15(21)25)16(27-14(10)19(3,4)24-18)23-17-22-11-6-5-9(20)7-12(11)26-17/h5-7,24H,8H2,1-4H3,(H2,21,25)(H,22,23)
InChIKeyVYYOCJCTRQJZIM-UHFFFAOYSA-N
XLogP4.50
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.54
LogP ≤ 54.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carboxamide with MolForge

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Related Compounds

ethyl 2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate
CID 43968613
ethyl 2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
CID 43968572
4-[4-[(6-fluoro-1,3-benzothiazol-2-yl)amino]phenyl]benzoic acid
CID 7147094
2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one
CID 7110038
5,5,7,7-tetramethyl-2-(pentanoylamino)-4,6-dihydrothieno[2,3-c]pyridine-3-carboxamide
CID 3408349
methyl 2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 43968585
ethyl 2-[[2-(3-fluorobenzoyl)oxyacetyl]amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carboxylate
CID 16619272
2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 43968519
methyl 6-acetyl-2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 43968602
[(4R)-3-[4-[4-[(6-fluoro-1,3-benzothiazol-2-yl)amino]phenyl]benzoyl]-5,5-dimethyl-1,3-thiazolidin-4-yl] hydrogen carbonate
CID 87519315
N-(6-fluoro-1,3-benzothiazol-2-yl)-3-methyloxetane-3-carboxamide
CID 146022316
cis-(1S,3R)-3-[(6-fluoro-1,3-benzothiazol-2-yl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 95389450

Frequently Asked Questions

What is the IUPAC name of 2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carboxamide?
The IUPAC name of 2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carboxamide (CID 43968614) is 2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for 2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carboxamide is CC1(C)Cc2c(sc(Nc3nc4ccc(F)cc4s3)c2C(N)=O)C(C)(C)N1.
What is the InChIKey of 2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carboxamide?
The InChIKey is VYYOCJCTRQJZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4OS2/c1-18(2)8-10-13(15(21)25)16(27-14(10)19(3,4)24-18)23-17-22-11-6-5-9(20)7-12(11)26-17/h5-7,24H,8H2,1-4H3,(H2,21,25)(H,22,23).
What are the key properties of 2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carboxamide?
2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carboxamide has a molecular weight of 404.54 g/mol, XLogP of 4.50, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-fluoro-1,3-benzothiazol-2-yl)amino]-5,5,7,7-tetramethyl-4,6-dihydrothieno[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 43968614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).