N'-[4-(1-adamantyl)-1,3-thiazol-2-yl]-N-(2-hydroxyethyl)propanediamide

C18H25N3O3S — CID 3804410

IUPACN'-[4-(1-adamantyl)-1,3-thiazol-2-yl]-N-(2-hydroxyethyl)propanediamide
SMILESO=C(CC(=O)Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1)NCCO
InChIInChI=1S/C18H25N3O3S/c22-2-1-19-15(23)6-16(24)21-17-20-14(10-25-17)18-7-11-3-12(8-18)5-13(4-11)9-18/h10-13,22H,1-9H2,(H,19,23)(H,20,21,24)
InChIKeyWKZCCJQCFYGVLL-UHFFFAOYSA-N
MW363.48 g/mol
LogP2.05
Rot. Bonds6

About N'-[4-(1-adamantyl)-1,3-thiazol-2-yl]-N-(2-hydroxyethyl)propanediamide

N'-[4-(1-adamantyl)-1,3-thiazol-2-yl]-N-(2-hydroxyethyl)propanediamide (PubChem CID 3804410) has the molecular formula C18H25N3O3S and a molecular weight of 363.48 g/mol. Its IUPAC name is N'-[4-(1-adamantyl)-1,3-thiazol-2-yl]-N-(2-hydroxyethyl)propanediamide.

Molecular Properties

Compound NameN'-[4-(1-adamantyl)-1,3-thiazol-2-yl]-N-(2-hydroxyethyl)propanediamide
PubChem CID3804410
Molecular FormulaC18H25N3O3S
Molecular Weight363.48 g/mol
Exact Mass363.16
IUPAC NameN'-[4-(1-adamantyl)-1,3-thiazol-2-yl]-N-(2-hydroxyethyl)propanediamide
SMILESO=C(CC(=O)Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1)NCCO
InChIInChI=1S/C18H25N3O3S/c22-2-1-19-15(23)6-16(24)21-17-20-14(10-25-17)18-7-11-3-12(8-18)5-13(4-11)9-18/h10-13,22H,1-9H2,(H,19,23)(H,20,21,24)
InChIKeyWKZCCJQCFYGVLL-UHFFFAOYSA-N
XLogP2.05
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[4-(1-adamantyl)-1,3-thiazol-2-yl]-N-(2-hydroxyethyl)propanediamide?
The IUPAC name of N'-[4-(1-adamantyl)-1,3-thiazol-2-yl]-N-(2-hydroxyethyl)propanediamide (CID 3804410) is N'-[4-(1-adamantyl)-1,3-thiazol-2-yl]-N-(2-hydroxyethyl)propanediamide.
What is the SMILES notation for N'-[4-(1-adamantyl)-1,3-thiazol-2-yl]-N-(2-hydroxyethyl)propanediamide?
The canonical SMILES for N'-[4-(1-adamantyl)-1,3-thiazol-2-yl]-N-(2-hydroxyethyl)propanediamide is O=C(CC(=O)Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1)NCCO.
What is the InChIKey of N'-[4-(1-adamantyl)-1,3-thiazol-2-yl]-N-(2-hydroxyethyl)propanediamide?
The InChIKey is WKZCCJQCFYGVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3S/c22-2-1-19-15(23)6-16(24)21-17-20-14(10-25-17)18-7-11-3-12(8-18)5-13(4-11)9-18/h10-13,22H,1-9H2,(H,19,23)(H,20,21,24).
What are the key properties of N'-[4-(1-adamantyl)-1,3-thiazol-2-yl]-N-(2-hydroxyethyl)propanediamide?
N'-[4-(1-adamantyl)-1,3-thiazol-2-yl]-N-(2-hydroxyethyl)propanediamide has a molecular weight of 363.48 g/mol, XLogP of 2.05, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(1-adamantyl)-1,3-thiazol-2-yl]-N-(2-hydroxyethyl)propanediamide is sourced from PubChem (CID 3804410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).