N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-3-(dimethylamino)propanamide

C18H27N3OS — CID 42598253

IUPACN-[4-(1-adamantyl)-1,3-thiazol-2-yl]-3-(dimethylamino)propanamide
SMILESCN(C)CCC(=O)Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1
InChIInChI=1S/C18H27N3OS/c1-21(2)4-3-16(22)20-17-19-15(11-23-17)18-8-12-5-13(9-18)7-14(6-12)10-18/h11-14H,3-10H2,1-2H3,(H,19,20,22)
InChIKeyXMXYAOSGZWLWPL-UHFFFAOYSA-N
MW333.50 g/mol
LogP3.50
Rot. Bonds5

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

N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-3-(dimethylamino)propanamide (PubChem CID 42598253) has the molecular formula C18H27N3OS and a molecular weight of 333.50 g/mol. Its IUPAC name is N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-3-(dimethylamino)propanamide.

Molecular Properties

Compound NameN-[4-(1-adamantyl)-1,3-thiazol-2-yl]-3-(dimethylamino)propanamide
PubChem CID42598253
Molecular FormulaC18H27N3OS
Molecular Weight333.50 g/mol
Exact Mass333.19
IUPAC NameN-[4-(1-adamantyl)-1,3-thiazol-2-yl]-3-(dimethylamino)propanamide
SMILESCN(C)CCC(=O)Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1
InChIInChI=1S/C18H27N3OS/c1-21(2)4-3-16(22)20-17-19-15(11-23-17)18-8-12-5-13(9-18)7-14(6-12)10-18/h11-14H,3-10H2,1-2H3,(H,19,20,22)
InChIKeyXMXYAOSGZWLWPL-UHFFFAOYSA-N
XLogP3.50
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.50
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-adamantyl)-N-methyl-1,3-thiazol-2-amine
CID 2872194
N-(4-Adamantan-1-yl-thiazol-2-yl)-N'-methyl-oxalamide
CID 2870842
N'-[4-(1-adamantyl)-1,3-thiazol-2-yl]-N-(2-hydroxyethyl)propanediamide
CID 3804410
4-(1-adamantyl)-N-ethyl-1,3-thiazol-2-amine
CID 2834325
3-(2-acetylhydrazino)-N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-3-oxopropanamide
CID 4457332
N-[4-(1-adamantyl)thiazol-2-yl]-3-cyclohexyl-propanamide
CID 23761567
N-[4-(1-adamantyl)thiazol-2-yl]cyclohexanecarboxamide
CID 24102945
N-[4-(1-adamantyl)thiazol-2-yl]cyclopentanecarboxamide
CID 118726229
CID 2834326
CID 2834326
N-[4-(1-adamantyl)thiazol-2-yl]-2-methyl-propanamide
CID 24575844
N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-(dimethylamino)acetamide
CID 42597776
N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide
CID 42597777

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-3-(dimethylamino)propanamide?
The IUPAC name of N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-3-(dimethylamino)propanamide (CID 42598253) is N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-3-(dimethylamino)propanamide.
What is the SMILES notation for N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-3-(dimethylamino)propanamide?
The canonical SMILES for N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-3-(dimethylamino)propanamide is CN(C)CCC(=O)Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1.
What is the InChIKey of N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-3-(dimethylamino)propanamide?
The InChIKey is XMXYAOSGZWLWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3OS/c1-21(2)4-3-16(22)20-17-19-15(11-23-17)18-8-12-5-13(9-18)7-14(6-12)10-18/h11-14H,3-10H2,1-2H3,(H,19,20,22).
What are the key properties of N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-3-(dimethylamino)propanamide?
N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-3-(dimethylamino)propanamide has a molecular weight of 333.50 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-3-(dimethylamino)propanamide is sourced from PubChem (CID 42598253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).