2-[4-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,4-diazepan-1-yl]-1,3-thiazole

C18H23N3S — CID 95235089

IUPAC2-[4-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,4-diazepan-1-yl]-1,3-thiazole
SMILESc1ccc2c(c1)CCC[C@H]2N1CCCN(c2nccs2)CC1
InChIInChI=1S/C18H23N3S/c1-2-7-16-15(5-1)6-3-8-17(16)20-10-4-11-21(13-12-20)18-19-9-14-22-18/h1-2,5,7,9,14,17H,3-4,6,8,10-13H2/t17-/m1/s1
InChIKeyDIBIIPNEWVIFBK-QGZVFWFLSA-N
MW313.47 g/mol
LogP3.73
Rot. Bonds2

About 2-[4-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,4-diazepan-1-yl]-1,3-thiazole

2-[4-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,4-diazepan-1-yl]-1,3-thiazole (PubChem CID 95235089) has the molecular formula C18H23N3S and a molecular weight of 313.47 g/mol. Its IUPAC name is 2-[4-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,4-diazepan-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[4-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,4-diazepan-1-yl]-1,3-thiazole
PubChem CID95235089
Molecular FormulaC18H23N3S
Molecular Weight313.47 g/mol
Exact Mass313.16
IUPAC Name2-[4-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,4-diazepan-1-yl]-1,3-thiazole
SMILESc1ccc2c(c1)CCC[C@H]2N1CCCN(c2nccs2)CC1
InChIInChI=1S/C18H23N3S/c1-2-7-16-15(5-1)6-3-8-17(16)20-10-4-11-21(13-12-20)18-19-9-14-22-18/h1-2,5,7,9,14,17H,3-4,6,8,10-13H2/t17-/m1/s1
InChIKeyDIBIIPNEWVIFBK-QGZVFWFLSA-N
XLogP3.73
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[4-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,4-diazepan-1-yl]-1,3-thiazole with MolForge

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Related Compounds

1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine
CID 122364481
N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 51957654
1-(2-ethylphenyl)-4-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,4-diazepane
CID 70273162
1-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,5-diazocane
CID 62316741
2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 78986460
2-[4-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-1,4-diazepan-1-yl]-1,3-thiazole
CID 167610027
2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]cyclohexan-1-ol
CID 60714895
3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]cyclopentan-1-one
CID 79643158
2-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazin-1-yl]ethanamine
CID 10515461
1-[1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-4-yl]ethanol
CID 111113908
2-(4-piperidin-1-ylpiperidin-1-yl)-1,3-thiazole
CID 172900709
[1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-4-yl]methanol
CID 110899348

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,4-diazepan-1-yl]-1,3-thiazole?
The IUPAC name of 2-[4-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,4-diazepan-1-yl]-1,3-thiazole (CID 95235089) is 2-[4-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,4-diazepan-1-yl]-1,3-thiazole.
What is the SMILES notation for 2-[4-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,4-diazepan-1-yl]-1,3-thiazole?
The canonical SMILES for 2-[4-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,4-diazepan-1-yl]-1,3-thiazole is c1ccc2c(c1)CCC[C@H]2N1CCCN(c2nccs2)CC1.
What is the InChIKey of 2-[4-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,4-diazepan-1-yl]-1,3-thiazole?
The InChIKey is DIBIIPNEWVIFBK-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H23N3S/c1-2-7-16-15(5-1)6-3-8-17(16)20-10-4-11-21(13-12-20)18-19-9-14-22-18/h1-2,5,7,9,14,17H,3-4,6,8,10-13H2/t17-/m1/s1.
What are the key properties of 2-[4-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,4-diazepan-1-yl]-1,3-thiazole?
2-[4-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,4-diazepan-1-yl]-1,3-thiazole has a molecular weight of 313.47 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,4-diazepan-1-yl]-1,3-thiazole is sourced from PubChem (CID 95235089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).