6-[3-(1,1-difluoroethyl)phenyl]-N-(4-methyl-1,3-thiazol-2-yl)-2,3-dihydropyrazino[2,3-b][1,4]oxazine-4-carboxamide

C19H17F2N5O2S — CID 121257516

IUPAC6-[3-(1,1-difluoroethyl)phenyl]-N-(4-methyl-1,3-thiazol-2-yl)-2,3-dihydropyrazino[2,3-b][1,4]oxazine-4-carboxamide
SMILESCc1csc(NC(=O)N2CCOc3ncc(-c4cccc(C(C)(F)F)c4)nc32)n1
InChIInChI=1S/C19H17F2N5O2S/c1-11-10-29-17(23-11)25-18(27)26-6-7-28-16-15(26)24-14(9-22-16)12-4-3-5-13(8-12)19(2,20)21/h3-5,8-10H,6-7H2,1-2H3,(H,23,25,27)
InChIKeyVGCPXMSTNFTHIE-UHFFFAOYSA-N
MW417.44 g/mol
LogP4.45
Rot. Bonds3

About 6-[3-(1,1-difluoroethyl)phenyl]-N-(4-methyl-1,3-thiazol-2-yl)-2,3-dihydropyrazino[2,3-b][1,4]oxazine-4-carboxamide

6-[3-(1,1-difluoroethyl)phenyl]-N-(4-methyl-1,3-thiazol-2-yl)-2,3-dihydropyrazino[2,3-b][1,4]oxazine-4-carboxamide (PubChem CID 121257516) has the molecular formula C19H17F2N5O2S and a molecular weight of 417.44 g/mol. Its IUPAC name is 6-[3-(1,1-difluoroethyl)phenyl]-N-(4-methyl-1,3-thiazol-2-yl)-2,3-dihydropyrazino[2,3-b][1,4]oxazine-4-carboxamide.

Molecular Properties

Compound Name6-[3-(1,1-difluoroethyl)phenyl]-N-(4-methyl-1,3-thiazol-2-yl)-2,3-dihydropyrazino[2,3-b][1,4]oxazine-4-carboxamide
PubChem CID121257516
Molecular FormulaC19H17F2N5O2S
Molecular Weight417.44 g/mol
Exact Mass417.11
IUPAC Name6-[3-(1,1-difluoroethyl)phenyl]-N-(4-methyl-1,3-thiazol-2-yl)-2,3-dihydropyrazino[2,3-b][1,4]oxazine-4-carboxamide
SMILESCc1csc(NC(=O)N2CCOc3ncc(-c4cccc(C(C)(F)F)c4)nc32)n1
InChIInChI=1S/C19H17F2N5O2S/c1-11-10-29-17(23-11)25-18(27)26-6-7-28-16-15(26)24-14(9-22-16)12-4-3-5-13(8-12)19(2,20)21/h3-5,8-10H,6-7H2,1-2H3,(H,23,25,27)
InChIKeyVGCPXMSTNFTHIE-UHFFFAOYSA-N
XLogP4.45
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.44
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-(3-fluorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 53232554
7-(2-methyl-4-pyridinyl)-N-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazepine-5-carboxamide
CID 121257599
7-(3-chlorophenyl)-1-ethyl-N-(4-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-pyrido[2,3-b][1,4]diazepine-5-carboxamide
CID 88943318
N-(3,4-dimethyl-1,2-oxazol-5-yl)-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide
CID 53233230
N-(2,6-dimethyl-4-pyridinyl)-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 53233781
N-(4,6-dimethyl-2-pyridinyl)-8-methyl-6-(3-methylphenyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide
CID 121257528
1-[[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]piperidine-4-carboxylic acid
CID 122074673
N-(4,5-dimethyl-1,3-thiazol-2-yl)-7-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide
CID 118124669
N-pyridin-4-yl-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazepine-5-carboxamide
CID 67170840
3-[3-(1,1-difluoroethyl)phenyl]-N-pyridin-2-ylquinoxaline-5-carboxamide
CID 161355859
methyl 3-[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]benzoate
CID 58346088
2-(cyclopropylmethylamino)-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide
CID 119708085

Frequently Asked Questions

What is the IUPAC name of 6-[3-(1,1-difluoroethyl)phenyl]-N-(4-methyl-1,3-thiazol-2-yl)-2,3-dihydropyrazino[2,3-b][1,4]oxazine-4-carboxamide?
The IUPAC name of 6-[3-(1,1-difluoroethyl)phenyl]-N-(4-methyl-1,3-thiazol-2-yl)-2,3-dihydropyrazino[2,3-b][1,4]oxazine-4-carboxamide (CID 121257516) is 6-[3-(1,1-difluoroethyl)phenyl]-N-(4-methyl-1,3-thiazol-2-yl)-2,3-dihydropyrazino[2,3-b][1,4]oxazine-4-carboxamide.
What is the SMILES notation for 6-[3-(1,1-difluoroethyl)phenyl]-N-(4-methyl-1,3-thiazol-2-yl)-2,3-dihydropyrazino[2,3-b][1,4]oxazine-4-carboxamide?
The canonical SMILES for 6-[3-(1,1-difluoroethyl)phenyl]-N-(4-methyl-1,3-thiazol-2-yl)-2,3-dihydropyrazino[2,3-b][1,4]oxazine-4-carboxamide is Cc1csc(NC(=O)N2CCOc3ncc(-c4cccc(C(C)(F)F)c4)nc32)n1.
What is the InChIKey of 6-[3-(1,1-difluoroethyl)phenyl]-N-(4-methyl-1,3-thiazol-2-yl)-2,3-dihydropyrazino[2,3-b][1,4]oxazine-4-carboxamide?
The InChIKey is VGCPXMSTNFTHIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N5O2S/c1-11-10-29-17(23-11)25-18(27)26-6-7-28-16-15(26)24-14(9-22-16)12-4-3-5-13(8-12)19(2,20)21/h3-5,8-10H,6-7H2,1-2H3,(H,23,25,27).
What are the key properties of 6-[3-(1,1-difluoroethyl)phenyl]-N-(4-methyl-1,3-thiazol-2-yl)-2,3-dihydropyrazino[2,3-b][1,4]oxazine-4-carboxamide?
6-[3-(1,1-difluoroethyl)phenyl]-N-(4-methyl-1,3-thiazol-2-yl)-2,3-dihydropyrazino[2,3-b][1,4]oxazine-4-carboxamide has a molecular weight of 417.44 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(1,1-difluoroethyl)phenyl]-N-(4-methyl-1,3-thiazol-2-yl)-2,3-dihydropyrazino[2,3-b][1,4]oxazine-4-carboxamide is sourced from PubChem (CID 121257516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).