2-[1-adamantylcarbamoyl(butyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide

C21H32N4O2S — CID 3262573

IUPAC2-[1-adamantylcarbamoyl(butyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
SMILESCCCCN(CC(=O)Nc1ncc(C)s1)C(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H32N4O2S/c1-3-4-5-25(13-18(26)23-19-22-12-14(2)28-19)20(27)24-21-9-15-6-16(10-21)8-17(7-15)11-21/h12,15-17H,3-11,13H2,1-2H3,(H,24,27)(H,22,23,26)
InChIKeyFLAYJVRIPJKMHI-UHFFFAOYSA-N
MW404.58 g/mol
LogP4.17
Rot. Bonds7

About 2-[1-adamantylcarbamoyl(butyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide

2-[1-adamantylcarbamoyl(butyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 3262573) has the molecular formula C21H32N4O2S and a molecular weight of 404.58 g/mol. Its IUPAC name is 2-[1-adamantylcarbamoyl(butyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[1-adamantylcarbamoyl(butyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID3262573
Molecular FormulaC21H32N4O2S
Molecular Weight404.58 g/mol
Exact Mass404.22
IUPAC Name2-[1-adamantylcarbamoyl(butyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
SMILESCCCCN(CC(=O)Nc1ncc(C)s1)C(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H32N4O2S/c1-3-4-5-25(13-18(26)23-19-22-12-14(2)28-19)20(27)24-21-9-15-6-16(10-21)8-17(7-15)11-21/h12,15-17H,3-11,13H2,1-2H3,(H,24,27)(H,22,23,26)
InChIKeyFLAYJVRIPJKMHI-UHFFFAOYSA-N
XLogP4.17
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.58
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[1-adamantylcarbamoyl(butyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[butyl(dimethylcarbamoyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 3424676
N-butyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]cyclopentanecarboxamide
CID 42663885
N-butyl-2,2-dimethyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]propanamide
CID 42663883
N-butyl-2,6-dimethoxy-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide
CID 3663835
4-fluoro-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-pentylbenzamide
CID 4145952
N-(3-methylbutyl)-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]octanamide
CID 5146409
N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-pentylnaphthalene-2-carboxamide
CID 4987057
N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-prop-2-enyldecanamide
CID 42770820
N-cyclopropyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]butanamide
CID 4052980
N-butyl-3-methoxy-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide
CID 4052929
N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-pentyl-2-phenylbutanamide
CID 42770867
2-[ethylsulfonyl(2-methylpropyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 42770884

Frequently Asked Questions

What is the IUPAC name of 2-[1-adamantylcarbamoyl(butyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[1-adamantylcarbamoyl(butyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide (CID 3262573) is 2-[1-adamantylcarbamoyl(butyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[1-adamantylcarbamoyl(butyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[1-adamantylcarbamoyl(butyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide is CCCCN(CC(=O)Nc1ncc(C)s1)C(=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-[1-adamantylcarbamoyl(butyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is FLAYJVRIPJKMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O2S/c1-3-4-5-25(13-18(26)23-19-22-12-14(2)28-19)20(27)24-21-9-15-6-16(10-21)8-17(7-15)11-21/h12,15-17H,3-11,13H2,1-2H3,(H,24,27)(H,22,23,26).
What are the key properties of 2-[1-adamantylcarbamoyl(butyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
2-[1-adamantylcarbamoyl(butyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 404.58 g/mol, XLogP of 4.17, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-adamantylcarbamoyl(butyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 3262573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).