N-[(4-fluorophenyl)methyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide

C15H14FN3OS — CID 20920701

IUPACN-[(4-fluorophenyl)methyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
SMILESO=C(NCc1ccc(F)cc1)N1CCSc2ncccc21
InChIInChI=1S/C15H14FN3OS/c16-12-5-3-11(4-6-12)10-18-15(20)19-8-9-21-14-13(19)2-1-7-17-14/h1-7H,8-10H2,(H,18,20)
InChIKeyPGXKCJDGDIUBLT-UHFFFAOYSA-N
MW303.36 g/mol
LogP3.04
Rot. Bonds2

About N-[(4-fluorophenyl)methyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide

N-[(4-fluorophenyl)methyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide (PubChem CID 20920701) has the molecular formula C15H14FN3OS and a molecular weight of 303.36 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
PubChem CID20920701
Molecular FormulaC15H14FN3OS
Molecular Weight303.36 g/mol
Exact Mass303.08
IUPAC NameN-[(4-fluorophenyl)methyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
SMILESO=C(NCc1ccc(F)cc1)N1CCSc2ncccc21
InChIInChI=1S/C15H14FN3OS/c16-12-5-3-11(4-6-12)10-18-15(20)19-8-9-21-14-13(19)2-1-7-17-14/h1-7H,8-10H2,(H,18,20)
InChIKeyPGXKCJDGDIUBLT-UHFFFAOYSA-N
XLogP3.04
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(4-benzylpiperazino)-4-oxobutyl]-1H-pyrido[2,3-b][1,4]thiazin-2(3H)-one
CID 5307854
2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)-N-(1-phenylbutan-2-yl)acetamide
CID 5308257
N-[3-[(2-fluorophenyl)methylcarbamoyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
CID 16023066
N-(4-{[(2-Phenylethyl)carbamoyl]methyl}phenyl)-1H,2H,3H-pyrido[2,3-B][1,4]thiazine-1-carboxamide
CID 16023148
N-(2-fluorophenyl)-2-(2-oxopyrido[2,3-b][1,4]thiazin-1-yl)acetamide
CID 20889991
N-{4-[(Benzylcarbamoyl)methyl]phenyl}-1H,2H,3H-pyrido[2,3-B][1,4]thiazine-1-carboxamide
CID 16023123
N-(4-{2-[(4-methylbenzyl)amino]-2-oxoethyl}phenyl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]thiazine-1-carboxamide
CID 16023128
N-(4-{[(2-Phenylpropyl)carbamoyl]methyl}phenyl)-1H,2H,3H-pyrido[2,3-B][1,4]thiazine-1-carboxamide
CID 16023150
N-[4-({[(4-Ethylphenyl)methyl]carbamoyl}methyl)phenyl]-1H,2H,3H-pyrido[2,3-B][1,4]thiazine-1-carboxamide
CID 16023162
N-[(4-fluorophenyl)methyl]-2-(1-methyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)acetamide
CID 53148510
2-(1-methyl-2-oxopyrido[2,3-b][1,4]thiazin-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 53148512
N-(4-bromo-2-fluorophenyl)-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide
CID 20920688

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide (CID 20920701) is N-[(4-fluorophenyl)methyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide is O=C(NCc1ccc(F)cc1)N1CCSc2ncccc21.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide?
The InChIKey is PGXKCJDGDIUBLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3OS/c16-12-5-3-11(4-6-12)10-18-15(20)19-8-9-21-14-13(19)2-1-7-17-14/h1-7H,8-10H2,(H,18,20).
What are the key properties of N-[(4-fluorophenyl)methyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide?
N-[(4-fluorophenyl)methyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide has a molecular weight of 303.36 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide is sourced from PubChem (CID 20920701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).