N-(1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-ylmethyl)-4-(2-chlorophenyl)-1,3-thiazol-2-amine

C18H22ClN3OS — CID 133451915

IUPACN-(1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-ylmethyl)-4-(2-chlorophenyl)-1,3-thiazol-2-amine
SMILESClc1ccccc1-c1csc(NCC2CN3CCCCC3CO2)n1
InChIInChI=1S/C18H22ClN3OS/c19-16-7-2-1-6-15(16)17-12-24-18(21-17)20-9-14-10-22-8-4-3-5-13(22)11-23-14/h1-2,6-7,12-14H,3-5,8-11H2,(H,20,21)
InChIKeyWASJNGBHUKXWEH-UHFFFAOYSA-N
MW363.91 g/mol
LogP4.13
Rot. Bonds4

About N-(1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-ylmethyl)-4-(2-chlorophenyl)-1,3-thiazol-2-amine

N-(1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-ylmethyl)-4-(2-chlorophenyl)-1,3-thiazol-2-amine (PubChem CID 133451915) has the molecular formula C18H22ClN3OS and a molecular weight of 363.91 g/mol. Its IUPAC name is N-(1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-ylmethyl)-4-(2-chlorophenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-ylmethyl)-4-(2-chlorophenyl)-1,3-thiazol-2-amine
PubChem CID133451915
Molecular FormulaC18H22ClN3OS
Molecular Weight363.91 g/mol
Exact Mass363.12
IUPAC NameN-(1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-ylmethyl)-4-(2-chlorophenyl)-1,3-thiazol-2-amine
SMILESClc1ccccc1-c1csc(NCC2CN3CCCCC3CO2)n1
InChIInChI=1S/C18H22ClN3OS/c19-16-7-2-1-6-15(16)17-12-24-18(21-17)20-9-14-10-22-8-4-3-5-13(22)11-23-14/h1-2,6-7,12-14H,3-5,8-11H2,(H,20,21)
InChIKeyWASJNGBHUKXWEH-UHFFFAOYSA-N
XLogP4.13
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.91
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-ylmethyl)-4-(2-chlorophenyl)-1,3-thiazol-2-amine with MolForge

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Related Compounds

6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethylamino)-3-chloropyridine-2-carboxylic acid
CID 79082719
6-N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-2-N-ethylpyridine-2,6-diamine
CID 80851211
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-2,5-dichloropyrimidin-4-amine
CID 79633146
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-6-thiophen-2-ylpyrazin-2-amine
CID 167851301
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-3,5-dichloropyridin-2-amine
CID 79072221
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-6-chloro-2-cyclopropylpyrimidin-4-amine
CID 80946821
4-N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-5-chloro-2-N-methylpyrimidine-2,4-diamine
CID 80850647
2-[[(3R,9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-yl]methylamino]pyridine-3-carbonitrile
CID 97101958
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-4,6-dimethylpyrimidin-2-amine
CID 79071229
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethylamino)-2-chlorobenzonitrile
CID 79071928
N-[[(3S,8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]methyl]pyridine-2-carboxamide
CID 94810936
1-[[2-[[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]amino]methyl]phenyl]methyl]pyrrolidin-3-ol
CID 133452871

Frequently Asked Questions

What is the IUPAC name of N-(1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-ylmethyl)-4-(2-chlorophenyl)-1,3-thiazol-2-amine?
The IUPAC name of N-(1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-ylmethyl)-4-(2-chlorophenyl)-1,3-thiazol-2-amine (CID 133451915) is N-(1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-ylmethyl)-4-(2-chlorophenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-ylmethyl)-4-(2-chlorophenyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-ylmethyl)-4-(2-chlorophenyl)-1,3-thiazol-2-amine is Clc1ccccc1-c1csc(NCC2CN3CCCCC3CO2)n1.
What is the InChIKey of N-(1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-ylmethyl)-4-(2-chlorophenyl)-1,3-thiazol-2-amine?
The InChIKey is WASJNGBHUKXWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3OS/c19-16-7-2-1-6-15(16)17-12-24-18(21-17)20-9-14-10-22-8-4-3-5-13(22)11-23-14/h1-2,6-7,12-14H,3-5,8-11H2,(H,20,21).
What are the key properties of N-(1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-ylmethyl)-4-(2-chlorophenyl)-1,3-thiazol-2-amine?
N-(1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-ylmethyl)-4-(2-chlorophenyl)-1,3-thiazol-2-amine has a molecular weight of 363.91 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-ylmethyl)-4-(2-chlorophenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 133451915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).