2-[(4aR,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]thiazin-4-yl]-N-(1,3-thiazol-2-yl)acetamide

C13H19N3OS2 — CID 124777522

IUPAC2-[(4aR,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]thiazin-4-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CN1CCS[C@@H]2CCCC[C@H]21)Nc1nccs1
InChIInChI=1S/C13H19N3OS2/c17-12(15-13-14-5-7-19-13)9-16-6-8-18-11-4-2-1-3-10(11)16/h5,7,10-11H,1-4,6,8-9H2,(H,14,15,17)/t10-,11-/m1/s1
InChIKeyTZYYTFAVDBIYHS-GHMZBOCLSA-N
MW297.45 g/mol
LogP2.44
Rot. Bonds3

About 2-[(4aR,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]thiazin-4-yl]-N-(1,3-thiazol-2-yl)acetamide

2-[(4aR,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]thiazin-4-yl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 124777522) has the molecular formula C13H19N3OS2 and a molecular weight of 297.45 g/mol. Its IUPAC name is 2-[(4aR,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]thiazin-4-yl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(4aR,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]thiazin-4-yl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID124777522
Molecular FormulaC13H19N3OS2
Molecular Weight297.45 g/mol
Exact Mass297.10
IUPAC Name2-[(4aR,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]thiazin-4-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CN1CCS[C@@H]2CCCC[C@H]21)Nc1nccs1
InChIInChI=1S/C13H19N3OS2/c17-12(15-13-14-5-7-19-13)9-16-6-8-18-11-4-2-1-3-10(11)16/h5,7,10-11H,1-4,6,8-9H2,(H,14,15,17)/t10-,11-/m1/s1
InChIKeyTZYYTFAVDBIYHS-GHMZBOCLSA-N
XLogP2.44
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.45
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(4aR,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]thiazin-4-yl]-N-(1,3-thiazol-2-yl)acetamide with MolForge

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Related Compounds

methyl (2R)-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidine-2-carboxylate
CID 79833913
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CID 136542577
2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 47019585
2-[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 97008723
2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 78962803
2-[(3R)-3-pyridin-4-ylpiperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 125143187
(2S,3aS,7aS)-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 124678314
N-(1,3-thiazol-2-yl)-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 95323473
2-cyclohexylsulfanyl-N-(1,3-thiazol-2-yl)acetamide
CID 2434094
2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 25475294
2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 81491285
N-(1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)piperidin-1-yl]acetamide
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Frequently Asked Questions

What is the IUPAC name of 2-[(4aR,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]thiazin-4-yl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[(4aR,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]thiazin-4-yl]-N-(1,3-thiazol-2-yl)acetamide (CID 124777522) is 2-[(4aR,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]thiazin-4-yl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(4aR,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]thiazin-4-yl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[(4aR,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]thiazin-4-yl]-N-(1,3-thiazol-2-yl)acetamide is O=C(CN1CCS[C@@H]2CCCC[C@H]21)Nc1nccs1.
What is the InChIKey of 2-[(4aR,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]thiazin-4-yl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is TZYYTFAVDBIYHS-GHMZBOCLSA-N. The full InChI is InChI=1S/C13H19N3OS2/c17-12(15-13-14-5-7-19-13)9-16-6-8-18-11-4-2-1-3-10(11)16/h5,7,10-11H,1-4,6,8-9H2,(H,14,15,17)/t10-,11-/m1/s1.
What are the key properties of 2-[(4aR,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]thiazin-4-yl]-N-(1,3-thiazol-2-yl)acetamide?
2-[(4aR,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]thiazin-4-yl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 297.45 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4aR,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]thiazin-4-yl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 124777522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).