[(4aR,8aR)-6-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-pyridin-4-ylmethanone

C18H22N4O2S — CID 124800795

IUPAC[(4aR,8aR)-6-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-pyridin-4-ylmethanone
SMILESCc1csc(CN2CC[C@H]3OCCN(C(=O)c4ccncc4)[C@@H]3C2)n1
InChIInChI=1S/C18H22N4O2S/c1-13-12-25-17(20-13)11-21-7-4-16-15(10-21)22(8-9-24-16)18(23)14-2-5-19-6-3-14/h2-3,5-6,12,15-16H,4,7-11H2,1H3/t15-,16-/m1/s1
InChIKeyHISCCKWEPLECRV-HZPDHXFCSA-N
MW358.47 g/mol
LogP1.96
Rot. Bonds3

About [(4aR,8aR)-6-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-pyridin-4-ylmethanone

[(4aR,8aR)-6-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-pyridin-4-ylmethanone (PubChem CID 124800795) has the molecular formula C18H22N4O2S and a molecular weight of 358.47 g/mol. Its IUPAC name is [(4aR,8aR)-6-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[(4aR,8aR)-6-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-pyridin-4-ylmethanone
PubChem CID124800795
Molecular FormulaC18H22N4O2S
Molecular Weight358.47 g/mol
Exact Mass358.15
IUPAC Name[(4aR,8aR)-6-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-pyridin-4-ylmethanone
SMILESCc1csc(CN2CC[C@H]3OCCN(C(=O)c4ccncc4)[C@@H]3C2)n1
InChIInChI=1S/C18H22N4O2S/c1-13-12-25-17(20-13)11-21-7-4-16-15(10-21)22(8-9-24-16)18(23)14-2-5-19-6-3-14/h2-3,5-6,12,15-16H,4,7-11H2,1H3/t15-,16-/m1/s1
InChIKeyHISCCKWEPLECRV-HZPDHXFCSA-N
XLogP1.96
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(4aR,8aR)-6-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-pyridin-4-ylmethanone with MolForge

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Launch Full Analysis

Related Compounds

[(4aS,8aS)-6-(thiophen-2-ylmethyl)-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-pyridin-3-ylmethanone
CID 98895268
[(4aS,8aS)-6-[(5-methylthiophen-2-yl)methyl]-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-pyrazin-2-ylmethanone
CID 98895919
[(4aR,8aR)-6-[(3-methyl-2-pyridinyl)methyl]-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-thiophen-3-ylmethanone
CID 124801643
[(4aR,8aR)-6-[(2-methylpyrazol-3-yl)methyl]-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-pyridin-3-ylmethanone
CID 124811047
[(4aS,8aS)-6-[(2-methylpyrazol-3-yl)methyl]-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-pyridin-3-ylmethanone
CID 98896109
[(4aS,8aS)-6-(furan-2-ylmethyl)-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-pyridin-3-ylmethanone
CID 98895158
(5aS,8aS)-4-(cyclopropylmethyl)-7-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,5,5a,6,8,8a-hexahydro-2H-pyrrolo[3,4-f][1,4]oxazepine
CID 97474993
(9-prop-2-enoxy-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl)-pyridin-4-ylmethanone
CID 131659015
(4aS,8R,8aS)-6-[(4-methyl-1,3-thiazol-2-yl)methyl]-8-pyrrolidin-1-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 155828354
1-cyclopropyl-N-methyl-N-[[(2S)-4-[(4-methyl-1,3-thiazol-2-yl)methyl]morpholin-2-yl]methyl]methanamine
CID 129343555
[(5aS,8aS)-4-(thiophen-2-ylmethyl)-3,5,5a,6,8,8a-hexahydro-2H-pyrrolo[3,4-f][1,4]oxazepin-7-yl]-pyridin-4-ylmethanone
CID 97420397
2-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)-4-methyl-1,3-thiazole
CID 115314298

Frequently Asked Questions

What is the IUPAC name of [(4aR,8aR)-6-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-pyridin-4-ylmethanone?
The IUPAC name of [(4aR,8aR)-6-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-pyridin-4-ylmethanone (CID 124800795) is [(4aR,8aR)-6-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [(4aR,8aR)-6-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [(4aR,8aR)-6-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-pyridin-4-ylmethanone is Cc1csc(CN2CC[C@H]3OCCN(C(=O)c4ccncc4)[C@@H]3C2)n1.
What is the InChIKey of [(4aR,8aR)-6-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-pyridin-4-ylmethanone?
The InChIKey is HISCCKWEPLECRV-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H22N4O2S/c1-13-12-25-17(20-13)11-21-7-4-16-15(10-21)22(8-9-24-16)18(23)14-2-5-19-6-3-14/h2-3,5-6,12,15-16H,4,7-11H2,1H3/t15-,16-/m1/s1.
What are the key properties of [(4aR,8aR)-6-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-pyridin-4-ylmethanone?
[(4aR,8aR)-6-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-pyridin-4-ylmethanone has a molecular weight of 358.47 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(4aR,8aR)-6-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 124800795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).