N'-[4-(1-adamantyl)-1,3-thiazol-2-yl]-N-[2-(dimethylamino)ethyl]oxamide

C19H28N4O2S — CID 2870807

IUPACN'-[4-(1-adamantyl)-1,3-thiazol-2-yl]-N-[2-(dimethylamino)ethyl]oxamide
SMILESCN(C)CCNC(=O)C(=O)Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1
InChIInChI=1S/C19H28N4O2S/c1-23(2)4-3-20-16(24)17(25)22-18-21-15(11-26-18)19-8-12-5-13(9-19)7-14(6-12)10-19/h11-14H,3-10H2,1-2H3,(H,20,24)(H,21,22,25)
InChIKeyGCAHRTQBCDIBAR-UHFFFAOYSA-N
MW376.53 g/mol
LogP2.23
Rot. Bonds5

About N'-[4-(1-adamantyl)-1,3-thiazol-2-yl]-N-[2-(dimethylamino)ethyl]oxamide

N'-[4-(1-adamantyl)-1,3-thiazol-2-yl]-N-[2-(dimethylamino)ethyl]oxamide (PubChem CID 2870807) has the molecular formula C19H28N4O2S and a molecular weight of 376.53 g/mol. Its IUPAC name is N'-[4-(1-adamantyl)-1,3-thiazol-2-yl]-N-[2-(dimethylamino)ethyl]oxamide.

Molecular Properties

Compound NameN'-[4-(1-adamantyl)-1,3-thiazol-2-yl]-N-[2-(dimethylamino)ethyl]oxamide
PubChem CID2870807
Molecular FormulaC19H28N4O2S
Molecular Weight376.53 g/mol
Exact Mass376.19
IUPAC NameN'-[4-(1-adamantyl)-1,3-thiazol-2-yl]-N-[2-(dimethylamino)ethyl]oxamide
SMILESCN(C)CCNC(=O)C(=O)Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1
InChIInChI=1S/C19H28N4O2S/c1-23(2)4-3-20-16(24)17(25)22-18-21-15(11-26-18)19-8-12-5-13(9-19)7-14(6-12)10-19/h11-14H,3-10H2,1-2H3,(H,20,24)(H,21,22,25)
InChIKeyGCAHRTQBCDIBAR-UHFFFAOYSA-N
XLogP2.23
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.53
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', '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-(dimethylamino)ethyl]oxamide?
The IUPAC name of N'-[4-(1-adamantyl)-1,3-thiazol-2-yl]-N-[2-(dimethylamino)ethyl]oxamide (CID 2870807) is N'-[4-(1-adamantyl)-1,3-thiazol-2-yl]-N-[2-(dimethylamino)ethyl]oxamide.
What is the SMILES notation for N'-[4-(1-adamantyl)-1,3-thiazol-2-yl]-N-[2-(dimethylamino)ethyl]oxamide?
The canonical SMILES for N'-[4-(1-adamantyl)-1,3-thiazol-2-yl]-N-[2-(dimethylamino)ethyl]oxamide is CN(C)CCNC(=O)C(=O)Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1.
What is the InChIKey of N'-[4-(1-adamantyl)-1,3-thiazol-2-yl]-N-[2-(dimethylamino)ethyl]oxamide?
The InChIKey is GCAHRTQBCDIBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2S/c1-23(2)4-3-20-16(24)17(25)22-18-21-15(11-26-18)19-8-12-5-13(9-19)7-14(6-12)10-19/h11-14H,3-10H2,1-2H3,(H,20,24)(H,21,22,25).
What are the key properties of N'-[4-(1-adamantyl)-1,3-thiazol-2-yl]-N-[2-(dimethylamino)ethyl]oxamide?
N'-[4-(1-adamantyl)-1,3-thiazol-2-yl]-N-[2-(dimethylamino)ethyl]oxamide has a molecular weight of 376.53 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 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-(dimethylamino)ethyl]oxamide is sourced from PubChem (CID 2870807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).