1-[4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-1,3-thiazol-2-yl]-N-methylmethanamine

C14H23N3OS — CID 55072692

IUPAC1-[4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-1,3-thiazol-2-yl]-N-methylmethanamine
SMILESCNCc1nc(CN2CCOC3CCCCC32)cs1
InChIInChI=1S/C14H23N3OS/c1-15-8-14-16-11(10-19-14)9-17-6-7-18-13-5-3-2-4-12(13)17/h10,12-13,15H,2-9H2,1H3
InChIKeyCQOZRKNBCBFISQ-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.01
Rot. Bonds4

About 1-[4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-1,3-thiazol-2-yl]-N-methylmethanamine

1-[4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-1,3-thiazol-2-yl]-N-methylmethanamine (PubChem CID 55072692) has the molecular formula C14H23N3OS and a molecular weight of 281.42 g/mol. Its IUPAC name is 1-[4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-1,3-thiazol-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-1,3-thiazol-2-yl]-N-methylmethanamine
PubChem CID55072692
Molecular FormulaC14H23N3OS
Molecular Weight281.42 g/mol
Exact Mass281.16
IUPAC Name1-[4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-1,3-thiazol-2-yl]-N-methylmethanamine
SMILESCNCc1nc(CN2CCOC3CCCCC32)cs1
InChIInChI=1S/C14H23N3OS/c1-15-8-14-16-11(10-19-14)9-17-6-7-18-13-5-3-2-4-12(13)17/h10,12-13,15H,2-9H2,1H3
InChIKeyCQOZRKNBCBFISQ-UHFFFAOYSA-N
XLogP2.01
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-1,3-thiazol-2-yl]-N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-1,3-thiazol-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-1,3-thiazol-2-yl]-N-methylmethanamine (CID 55072692) is 1-[4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-1,3-thiazol-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-1,3-thiazol-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-1,3-thiazol-2-yl]-N-methylmethanamine is CNCc1nc(CN2CCOC3CCCCC32)cs1.
What is the InChIKey of 1-[4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-1,3-thiazol-2-yl]-N-methylmethanamine?
The InChIKey is CQOZRKNBCBFISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-15-8-14-16-11(10-19-14)9-17-6-7-18-13-5-3-2-4-12(13)17/h10,12-13,15H,2-9H2,1H3.
What are the key properties of 1-[4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-1,3-thiazol-2-yl]-N-methylmethanamine?
1-[4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-1,3-thiazol-2-yl]-N-methylmethanamine has a molecular weight of 281.42 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-1,3-thiazol-2-yl]-N-methylmethanamine is sourced from PubChem (CID 55072692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).