2-(2-adamantyl)-2-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]cyclopentyl]acetamide

C22H31N3O2S — CID 87546188

IUPAC2-(2-adamantyl)-2-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]cyclopentyl]acetamide
SMILESNC(=O)C(C1C2CC3CC(C2)CC1C3)C1(CC(=O)Nc2nccs2)CCCC1
InChIInChI=1S/C22H31N3O2S/c23-20(27)19(18-15-8-13-7-14(10-15)11-16(18)9-13)22(3-1-2-4-22)12-17(26)25-21-24-5-6-28-21/h5-6,13-16,18-19H,1-4,7-12H2,(H2,23,27)(H,24,25,26)
InChIKeyZLENXSOACQLBPP-UHFFFAOYSA-N
MW401.58 g/mol
LogP4.21
Rot. Bonds6

About 2-(2-adamantyl)-2-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]cyclopentyl]acetamide

2-(2-adamantyl)-2-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]cyclopentyl]acetamide (PubChem CID 87546188) has the molecular formula C22H31N3O2S and a molecular weight of 401.58 g/mol. Its IUPAC name is 2-(2-adamantyl)-2-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]cyclopentyl]acetamide.

Molecular Properties

Compound Name2-(2-adamantyl)-2-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]cyclopentyl]acetamide
PubChem CID87546188
Molecular FormulaC22H31N3O2S
Molecular Weight401.58 g/mol
Exact Mass401.21
IUPAC Name2-(2-adamantyl)-2-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]cyclopentyl]acetamide
SMILESNC(=O)C(C1C2CC3CC(C2)CC1C3)C1(CC(=O)Nc2nccs2)CCCC1
InChIInChI=1S/C22H31N3O2S/c23-20(27)19(18-15-8-13-7-14(10-15)11-16(18)9-13)22(3-1-2-4-22)12-17(26)25-21-24-5-6-28-21/h5-6,13-16,18-19H,1-4,7-12H2,(H2,23,27)(H,24,25,26)
InChIKeyZLENXSOACQLBPP-UHFFFAOYSA-N
XLogP4.21
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.58
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1-adamantyl]-N-(1,3-thiazol-2-yl)acetamide
CID 3581376
2-[(5R,7R)-3-bromo-1-adamantyl]-N-(1,3-thiazol-2-yl)acetamide
CID 98125965
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]cyclohexyl]acetamide
CID 86897048
N'-[1-(1-adamantyl)ethyl]-N-(1,3-thiazol-2-yl)butanediamide
CID 51117811
2-(1-adamantyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
CID 25035445
N-[2-(methylamino)propyl]-2-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]cyclohexyl]acetamide
CID 120827381
1-(aminomethyl)-N-(1,3-thiazol-2-yl)cycloheptane-1-carboxamide
CID 115443706
[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl] 3-chloroadamantane-1-carboxylate
CID 5202139
1-hydroxy-N-(1,3-thiazol-2-yl)cyclopentane-1-carboxamide
CID 110906941
N-ethyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]adamantane-1-carboxamide
CID 4568827
(3R)-3-methyl-N'-(1,3-thiazol-2-yl)pentanediamide
CID 20712410
1,3-thiazol-2-ylurea;hydrochloride
CID 118455578

Frequently Asked Questions

What is the IUPAC name of 2-(2-adamantyl)-2-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]cyclopentyl]acetamide?
The IUPAC name of 2-(2-adamantyl)-2-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]cyclopentyl]acetamide (CID 87546188) is 2-(2-adamantyl)-2-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]cyclopentyl]acetamide.
What is the SMILES notation for 2-(2-adamantyl)-2-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]cyclopentyl]acetamide?
The canonical SMILES for 2-(2-adamantyl)-2-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]cyclopentyl]acetamide is NC(=O)C(C1C2CC3CC(C2)CC1C3)C1(CC(=O)Nc2nccs2)CCCC1.
What is the InChIKey of 2-(2-adamantyl)-2-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]cyclopentyl]acetamide?
The InChIKey is ZLENXSOACQLBPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O2S/c23-20(27)19(18-15-8-13-7-14(10-15)11-16(18)9-13)22(3-1-2-4-22)12-17(26)25-21-24-5-6-28-21/h5-6,13-16,18-19H,1-4,7-12H2,(H2,23,27)(H,24,25,26).
What are the key properties of 2-(2-adamantyl)-2-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]cyclopentyl]acetamide?
2-(2-adamantyl)-2-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]cyclopentyl]acetamide has a molecular weight of 401.58 g/mol, XLogP of 4.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-adamantyl)-2-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]cyclopentyl]acetamide is sourced from PubChem (CID 87546188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).