N-(1-adamantylmethyl)-3-propanoyl-1,3-thiazolidine-4-carboxamide

C18H28N2O2S — CID 102555877

IUPACN-(1-adamantylmethyl)-3-propanoyl-1,3-thiazolidine-4-carboxamide
SMILESCCC(=O)N1CSCC1C(=O)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H28N2O2S/c1-2-16(21)20-11-23-9-15(20)17(22)19-10-18-6-12-3-13(7-18)5-14(4-12)8-18/h12-15H,2-11H2,1H3,(H,19,22)
InChIKeyCSPVQUMBWDUYNK-UHFFFAOYSA-N
MW336.50 g/mol
LogP2.63
Rot. Bonds4

About N-(1-adamantylmethyl)-3-propanoyl-1,3-thiazolidine-4-carboxamide

N-(1-adamantylmethyl)-3-propanoyl-1,3-thiazolidine-4-carboxamide (PubChem CID 102555877) has the molecular formula C18H28N2O2S and a molecular weight of 336.50 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-3-propanoyl-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-3-propanoyl-1,3-thiazolidine-4-carboxamide
PubChem CID102555877
Molecular FormulaC18H28N2O2S
Molecular Weight336.50 g/mol
Exact Mass336.19
IUPAC NameN-(1-adamantylmethyl)-3-propanoyl-1,3-thiazolidine-4-carboxamide
SMILESCCC(=O)N1CSCC1C(=O)NCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H28N2O2S/c1-2-16(21)20-11-23-9-15(20)17(22)19-10-18-6-12-3-13(7-18)5-14(4-12)8-18/h12-15H,2-11H2,1H3,(H,19,22)
InChIKeyCSPVQUMBWDUYNK-UHFFFAOYSA-N
XLogP2.63
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.50
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-3-propanoyl-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-(1-adamantylmethyl)-3-propanoyl-1,3-thiazolidine-4-carboxamide (CID 102555877) is N-(1-adamantylmethyl)-3-propanoyl-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-(1-adamantylmethyl)-3-propanoyl-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-(1-adamantylmethyl)-3-propanoyl-1,3-thiazolidine-4-carboxamide is CCC(=O)N1CSCC1C(=O)NCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantylmethyl)-3-propanoyl-1,3-thiazolidine-4-carboxamide?
The InChIKey is CSPVQUMBWDUYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2S/c1-2-16(21)20-11-23-9-15(20)17(22)19-10-18-6-12-3-13(7-18)5-14(4-12)8-18/h12-15H,2-11H2,1H3,(H,19,22).
What are the key properties of N-(1-adamantylmethyl)-3-propanoyl-1,3-thiazolidine-4-carboxamide?
N-(1-adamantylmethyl)-3-propanoyl-1,3-thiazolidine-4-carboxamide has a molecular weight of 336.50 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-3-propanoyl-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 102555877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).