[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

C14H23N3OS — CID 81206184

IUPAC[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
SMILESCc1nc(N2CCC3C(CCCN3C)C2)sc1CO
InChIInChI=1S/C14H23N3OS/c1-10-13(9-18)19-14(15-10)17-7-5-12-11(8-17)4-3-6-16(12)2/h11-12,18H,3-9H2,1-2H3
InChIKeyUZIJBEKLNFKYAG-UHFFFAOYSA-N
MW281.42 g/mol
LogP1.86
Rot. Bonds2

About [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

[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 (PubChem CID 81206184) has the molecular formula C14H23N3OS and a molecular weight of 281.42 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID81206184
Molecular FormulaC14H23N3OS
Molecular Weight281.42 g/mol
Exact Mass281.16
IUPAC Name[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
SMILESCc1nc(N2CCC3C(CCCN3C)C2)sc1CO
InChIInChI=1S/C14H23N3OS/c1-10-13(9-18)19-14(15-10)17-7-5-12-11(8-17)4-3-6-16(12)2/h11-12,18H,3-9H2,1-2H3
InChIKeyUZIJBEKLNFKYAG-UHFFFAOYSA-N
XLogP1.86
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [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 with MolForge

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Related Compounds

[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
[4-methyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-1,3-thiazol-5-yl]methanol
CID 63009952
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-methyl-2-(3-phenylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanol
CID 62780508
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
[4-methyl-2-(2-methylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanol
CID 62780487
[2-(4-ethoxypiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methanol
CID 55117381
[2-[4-(methoxymethyl)piperidin-1-yl]-4-methyl-1,3-thiazol-5-yl]methanol
CID 63979536
[5-methyl-6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-3-pyridinyl]methanol
CID 81199999
1-[2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-1,3-thiazol-4-yl]ethanamine
CID 81206031
[4-methyl-2-(1,4-thiazepan-4-yl)-1,3-thiazol-5-yl]methanol
CID 62779519
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

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is Cc1nc(N2CCC3C(CCCN3C)C2)sc1CO.
What is the InChIKey of [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?
The InChIKey is UZIJBEKLNFKYAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-10-13(9-18)19-14(15-10)17-7-5-12-11(8-17)4-3-6-16(12)2/h11-12,18H,3-9H2,1-2H3.
What are the key properties of [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?
[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 has a molecular weight of 281.42 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 81206184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).