[4-chloro-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-1,3-thiazol-5-yl]methanol

C13H20ClN3OS — CID 81199670

IUPAC[4-chloro-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-1,3-thiazol-5-yl]methanol
SMILESCN1CCCC2CN(c3nc(Cl)c(CO)s3)CCC21
InChIInChI=1S/C13H20ClN3OS/c1-16-5-2-3-9-7-17(6-4-10(9)16)13-15-12(14)11(8-18)19-13/h9-10,18H,2-8H2,1H3
InChIKeyGSUYLWILMCIYAS-UHFFFAOYSA-N
MW301.84 g/mol
LogP2.21
Rot. Bonds2

About [4-chloro-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-1,3-thiazol-5-yl]methanol

[4-chloro-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-1,3-thiazol-5-yl]methanol (PubChem CID 81199670) has the molecular formula C13H20ClN3OS and a molecular weight of 301.84 g/mol. Its IUPAC name is [4-chloro-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[4-chloro-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-1,3-thiazol-5-yl]methanol
PubChem CID81199670
Molecular FormulaC13H20ClN3OS
Molecular Weight301.84 g/mol
Exact Mass301.10
IUPAC Name[4-chloro-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-1,3-thiazol-5-yl]methanol
SMILESCN1CCCC2CN(c3nc(Cl)c(CO)s3)CCC21
InChIInChI=1S/C13H20ClN3OS/c1-16-5-2-3-9-7-17(6-4-10(9)16)13-15-12(14)11(8-18)19-13/h9-10,18H,2-8H2,1H3
InChIKeyGSUYLWILMCIYAS-UHFFFAOYSA-N
XLogP2.21
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.84
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-chloro-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-1,3-thiazol-5-yl]methanol with MolForge

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Related Compounds

[4-methyl-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-1,3-thiazol-5-yl]methanol
CID 81206184
4-chloro-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-1,3-thiazole
CID 83156856
[4-chloro-2-(3-ethoxypiperidin-1-yl)-1,3-thiazol-5-yl]methanol
CID 80692404
[2-(4-tert-butylazepan-1-yl)-4-chloro-1,3-thiazol-5-yl]methanol
CID 80692510
6-(3,6-dichloro-1,2,4-triazin-5-yl)-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine
CID 81200530
[4-chloro-2-(4-propylazepan-1-yl)-1,3-thiazol-5-yl]methanol
CID 80692314
3-chloro-4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-1,2,5-thiadiazole
CID 81198645
[4-chloro-2-(2-methyl-1,4-oxazepan-4-yl)-1,3-thiazol-5-yl]methanol
CID 80693113
2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-6,7-dihydro-5H-1,3-benzothiazol-4-one
CID 81193537
[2-(4-tert-butylpiperazin-1-yl)-4-chloro-1,3-thiazol-5-yl]methanol
CID 80692897
[4-chloro-2-(2-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methanol
CID 80692988
[4-bromo-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)phenyl]methanol
CID 81199227

Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-1,3-thiazol-5-yl]methanol?
The IUPAC name of [4-chloro-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-1,3-thiazol-5-yl]methanol (CID 81199670) is [4-chloro-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [4-chloro-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [4-chloro-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-1,3-thiazol-5-yl]methanol is CN1CCCC2CN(c3nc(Cl)c(CO)s3)CCC21.
What is the InChIKey of [4-chloro-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-1,3-thiazol-5-yl]methanol?
The InChIKey is GSUYLWILMCIYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3OS/c1-16-5-2-3-9-7-17(6-4-10(9)16)13-15-12(14)11(8-18)19-13/h9-10,18H,2-8H2,1H3.
What are the key properties of [4-chloro-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-1,3-thiazol-5-yl]methanol?
[4-chloro-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-1,3-thiazol-5-yl]methanol has a molecular weight of 301.84 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 81199670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).