1-adamantyl(1,3-thiazolidin-3-yl)methanone

C14H21NOS — CID 122332032

IUPAC1-adamantyl(1,3-thiazolidin-3-yl)methanone
SMILESO=C(N1CCSC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H21NOS/c16-13(15-1-2-17-9-15)14-6-10-3-11(7-14)5-12(4-10)8-14/h10-12H,1-9H2
InChIKeyCJGLIHZJXAYYII-UHFFFAOYSA-N
MW251.39 g/mol
LogP2.74
Rot. Bonds1

About 1-adamantyl(1,3-thiazolidin-3-yl)methanone

1-adamantyl(1,3-thiazolidin-3-yl)methanone (PubChem CID 122332032) has the molecular formula C14H21NOS and a molecular weight of 251.39 g/mol. Its IUPAC name is 1-adamantyl(1,3-thiazolidin-3-yl)methanone.

Molecular Properties

Compound Name1-adamantyl(1,3-thiazolidin-3-yl)methanone
PubChem CID122332032
Molecular FormulaC14H21NOS
Molecular Weight251.39 g/mol
Exact Mass251.13
IUPAC Name1-adamantyl(1,3-thiazolidin-3-yl)methanone
SMILESO=C(N1CCSC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H21NOS/c16-13(15-1-2-17-9-15)14-6-10-3-11(7-14)5-12(4-10)8-14/h10-12H,1-9H2
InChIKeyCJGLIHZJXAYYII-UHFFFAOYSA-N
XLogP2.74
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-adamantyl(azepan-1-yl)methanone
CID 2838808
1-adamantyl(piperazin-1-yl)methanone;hydrochloride
CID 17233942
1-adamantyl(1,4,7,10,13,16-hexaoxa-19-azacyclohenicos-19-yl)methanone
CID 19387509
1-adamantyl-(4-aminopiperidin-1-yl)methanone;hydrochloride
CID 110204181
1-adamantyl-[3-(bromomethyl)pyrrolidin-1-yl]methanone
CID 80667233
(4-methylpiperazin-1-yl)-[(3S,6R)-1-tricyclo[4.3.1.13,8]undecanyl]methanone
CID 7471137
methyl 4-(adamantane-1-carbonyl)piperazine-1-carboxylate
CID 110365670
[4-[(3S,6S)-tricyclo[4.3.1.13,8]undecane-1-carbonyl]piperazin-1-yl]-[(1R,8R)-3-tricyclo[4.3.1.13,8]undecanyl]methanone
CID 98129534
1-adamantyl(1,3-oxazinan-3-yl)methanone
CID 110739642
1-[4-(adamantane-1-carbonyl)piperazin-1-yl]-3-chloropropan-1-one
CID 108570242
1-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-chloropropan-1-one
CID 108570247
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(1-adamantyl)methanone
CID 66212965

Frequently Asked Questions

What is the IUPAC name of 1-adamantyl(1,3-thiazolidin-3-yl)methanone?
The IUPAC name of 1-adamantyl(1,3-thiazolidin-3-yl)methanone (CID 122332032) is 1-adamantyl(1,3-thiazolidin-3-yl)methanone.
What is the SMILES notation for 1-adamantyl(1,3-thiazolidin-3-yl)methanone?
The canonical SMILES for 1-adamantyl(1,3-thiazolidin-3-yl)methanone is O=C(N1CCSC1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-adamantyl(1,3-thiazolidin-3-yl)methanone?
The InChIKey is CJGLIHZJXAYYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS/c16-13(15-1-2-17-9-15)14-6-10-3-11(7-14)5-12(4-10)8-14/h10-12H,1-9H2.
What are the key properties of 1-adamantyl(1,3-thiazolidin-3-yl)methanone?
1-adamantyl(1,3-thiazolidin-3-yl)methanone has a molecular weight of 251.39 g/mol, XLogP of 2.74, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantyl(1,3-thiazolidin-3-yl)methanone is sourced from PubChem (CID 122332032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).