N-(2-phenylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carbothioamide

C16H17N3OS — CID 58345970

IUPACN-(2-phenylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carbothioamide
SMILESS=C(NCCc1ccccc1)N1CCOc2cccnc21
InChIInChI=1S/C16H17N3OS/c21-16(18-10-8-13-5-2-1-3-6-13)19-11-12-20-14-7-4-9-17-15(14)19/h1-7,9H,8,10-12H2,(H,18,21)
InChIKeyGNZOYYJFIPFPAW-UHFFFAOYSA-N
MW299.40 g/mol
LogP2.40
Rot. Bonds3

About N-(2-phenylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carbothioamide

N-(2-phenylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carbothioamide (PubChem CID 58345970) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is N-(2-phenylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carbothioamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carbothioamide
PubChem CID58345970
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC NameN-(2-phenylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carbothioamide
SMILESS=C(NCCc1ccccc1)N1CCOc2cccnc21
InChIInChI=1S/C16H17N3OS/c21-16(18-10-8-13-5-2-1-3-6-13)19-11-12-20-14-7-4-9-17-15(14)19/h1-7,9H,8,10-12H2,(H,18,21)
InChIKeyGNZOYYJFIPFPAW-UHFFFAOYSA-N
XLogP2.40
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-Amino-3-benzyloxypyridine
CID 90334
Rbi 257
CID 5041
U 101958
CID 5615
3-[3-(Benzyloxy)pyridin-2-yl]-1-phenylurea
CID 3663276
(3-Ethoxy-pyridin-2-yl)-pyridin-2-yl-amine
CID 11321863
6-({[5-({[2-(3-Fluorophenyl)ethyl]amino}methyl)pyridin-3-Yl]oxy}methyl)-4-Methylpyridin-2-Amine
CID 71627414
N-[[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]methyl]pyridin-2-amine
CID 9880373
Thiourea, N-(2-(2-ethoxy-6-fluorophenyl)ethyl)-N'-(5-methyl-2-pyridinyl)-
CID 3001123
4-methyl-7-(phenoxymethyl)-2H,3H,4H-pyrido[3,2-b][1,4]oxazine
CID 51003564
N*2*-(2-Phenoxy-ethyl)-N*4*-((S)-1-phenyl-ethyl)-pyridine-2,4-diamine
CID 44393073
N*4*-(2-Phenoxy-ethyl)-N*2*-((S)-1-phenyl-ethyl)-pyridine-2,4-diamine
CID 44393192
5'-ethoxy-N-(6-methylpyridin-2-yl)-2,3'-bipyridin-6'-amine
CID 11220495

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carbothioamide?
The IUPAC name of N-(2-phenylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carbothioamide (CID 58345970) is N-(2-phenylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carbothioamide.
What is the SMILES notation for N-(2-phenylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carbothioamide?
The canonical SMILES for N-(2-phenylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carbothioamide is S=C(NCCc1ccccc1)N1CCOc2cccnc21.
What is the InChIKey of N-(2-phenylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carbothioamide?
The InChIKey is GNZOYYJFIPFPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS/c21-16(18-10-8-13-5-2-1-3-6-13)19-11-12-20-14-7-4-9-17-15(14)19/h1-7,9H,8,10-12H2,(H,18,21).
What are the key properties of N-(2-phenylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carbothioamide?
N-(2-phenylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carbothioamide has a molecular weight of 299.40 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carbothioamide is sourced from PubChem (CID 58345970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).