N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide

C19H27N3OS — CID 42597777

IUPACN-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide
SMILESO=C(CN1CCCC1)Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1
InChIInChI=1S/C19H27N3OS/c23-17(11-22-3-1-2-4-22)21-18-20-16(12-24-18)19-8-13-5-14(9-19)7-15(6-13)10-19/h12-15H,1-11H2,(H,20,21,23)
InChIKeyACCBGEGWPDNJJT-UHFFFAOYSA-N
MW345.51 g/mol
LogP3.65
Rot. Bonds4

About N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide

N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide (PubChem CID 42597777) has the molecular formula C19H27N3OS and a molecular weight of 345.51 g/mol. Its IUPAC name is N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide
PubChem CID42597777
Molecular FormulaC19H27N3OS
Molecular Weight345.51 g/mol
Exact Mass345.19
IUPAC NameN-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide
SMILESO=C(CN1CCCC1)Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1
InChIInChI=1S/C19H27N3OS/c23-17(11-22-3-1-2-4-22)21-18-20-16(12-24-18)19-8-13-5-14(9-19)7-15(6-13)10-19/h12-15H,1-11H2,(H,20,21,23)
InChIKeyACCBGEGWPDNJJT-UHFFFAOYSA-N
XLogP3.65
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.51
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-Adamantan-1-yl-thiazol-2-yl)-N'-methyl-oxalamide
CID 2870842
N-(4-Adamantan-1-yl-thiazol-2-yl)-N'-(2-hydroxy-ethyl)-oxalamide
CID 2870696
N'-[4-(1-adamantyl)-1,3-thiazol-2-yl]oxamide
CID 2870779
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
N-(4-Adamantan-1-yl-thiazol-2-yl)-N'-(2-dimethylamino-ethyl)-oxalamide
CID 2870807
N'-[4-(1-adamantyl)-1,3-thiazol-2-yl]-N-(3-hydroxypropyl)oxamide
CID 2870837
4-(1-adamantyl)-N-ethyl-1,3-thiazol-2-amine Hydrochloride
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-morpholin-4-ylacetamide
CID 42597778

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide (CID 42597777) is N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide is O=C(CN1CCCC1)Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1.
What is the InChIKey of N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide?
The InChIKey is ACCBGEGWPDNJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3OS/c23-17(11-22-3-1-2-4-22)21-18-20-16(12-24-18)19-8-13-5-14(9-19)7-15(6-13)10-19/h12-15H,1-11H2,(H,20,21,23).
What are the key properties of N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide?
N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide has a molecular weight of 345.51 g/mol, XLogP of 3.65, 4 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]-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 42597777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).