3-[3-(adamantane-1-carbonylamino)propanoyl]-N,N-dimethyl-1,3-thiazolidine-4-carboxamide

C20H31N3O3S — CID 47093170

IUPAC3-[3-(adamantane-1-carbonylamino)propanoyl]-N,N-dimethyl-1,3-thiazolidine-4-carboxamide
SMILESCN(C)C(=O)C1CSCN1C(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H31N3O3S/c1-22(2)18(25)16-11-27-12-23(16)17(24)3-4-21-19(26)20-8-13-5-14(9-20)7-15(6-13)10-20/h13-16H,3-12H2,1-2H3,(H,21,26)
InChIKeyFYHXRJVSXXQRNX-UHFFFAOYSA-N
MW393.55 g/mol
LogP1.70
Rot. Bonds5

About 3-[3-(adamantane-1-carbonylamino)propanoyl]-N,N-dimethyl-1,3-thiazolidine-4-carboxamide

3-[3-(adamantane-1-carbonylamino)propanoyl]-N,N-dimethyl-1,3-thiazolidine-4-carboxamide (PubChem CID 47093170) has the molecular formula C20H31N3O3S and a molecular weight of 393.55 g/mol. Its IUPAC name is 3-[3-(adamantane-1-carbonylamino)propanoyl]-N,N-dimethyl-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name3-[3-(adamantane-1-carbonylamino)propanoyl]-N,N-dimethyl-1,3-thiazolidine-4-carboxamide
PubChem CID47093170
Molecular FormulaC20H31N3O3S
Molecular Weight393.55 g/mol
Exact Mass393.21
IUPAC Name3-[3-(adamantane-1-carbonylamino)propanoyl]-N,N-dimethyl-1,3-thiazolidine-4-carboxamide
SMILESCN(C)C(=O)C1CSCN1C(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H31N3O3S/c1-22(2)18(25)16-11-27-12-23(16)17(24)3-4-21-19(26)20-8-13-5-14(9-20)7-15(6-13)10-20/h13-16H,3-12H2,1-2H3,(H,21,26)
InChIKeyFYHXRJVSXXQRNX-UHFFFAOYSA-N
XLogP1.70
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.55
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(adamantane-1-carbonylamino)propanoyl]-N,N-dimethyl-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 3-[3-(adamantane-1-carbonylamino)propanoyl]-N,N-dimethyl-1,3-thiazolidine-4-carboxamide (CID 47093170) is 3-[3-(adamantane-1-carbonylamino)propanoyl]-N,N-dimethyl-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 3-[3-(adamantane-1-carbonylamino)propanoyl]-N,N-dimethyl-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 3-[3-(adamantane-1-carbonylamino)propanoyl]-N,N-dimethyl-1,3-thiazolidine-4-carboxamide is CN(C)C(=O)C1CSCN1C(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 3-[3-(adamantane-1-carbonylamino)propanoyl]-N,N-dimethyl-1,3-thiazolidine-4-carboxamide?
The InChIKey is FYHXRJVSXXQRNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3S/c1-22(2)18(25)16-11-27-12-23(16)17(24)3-4-21-19(26)20-8-13-5-14(9-20)7-15(6-13)10-20/h13-16H,3-12H2,1-2H3,(H,21,26).
What are the key properties of 3-[3-(adamantane-1-carbonylamino)propanoyl]-N,N-dimethyl-1,3-thiazolidine-4-carboxamide?
3-[3-(adamantane-1-carbonylamino)propanoyl]-N,N-dimethyl-1,3-thiazolidine-4-carboxamide has a molecular weight of 393.55 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(adamantane-1-carbonylamino)propanoyl]-N,N-dimethyl-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 47093170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).