N-[(1R)-1-(1-adamantyl)ethyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide

C21H26N2OS2 — CID 8927323

IUPACN-[(1R)-1-(1-adamantyl)ethyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
SMILESC[C@@H](NC(=O)Cc1csc(-c2ccsc2)n1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H26N2OS2/c1-13(21-8-14-4-15(9-21)6-16(5-14)10-21)22-19(24)7-18-12-26-20(23-18)17-2-3-25-11-17/h2-3,11-16H,4-10H2,1H3,(H,22,24)/t13-,14?,15?,16?,21?/m1/s1
InChIKeyAOZRMBBUPFBPGZ-BUBBNXEVSA-N
MW386.59 g/mol
LogP5.14
Rot. Bonds5

About N-[(1R)-1-(1-adamantyl)ethyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide

N-[(1R)-1-(1-adamantyl)ethyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 8927323) has the molecular formula C21H26N2OS2 and a molecular weight of 386.59 g/mol. Its IUPAC name is N-[(1R)-1-(1-adamantyl)ethyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(1-adamantyl)ethyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
PubChem CID8927323
Molecular FormulaC21H26N2OS2
Molecular Weight386.59 g/mol
Exact Mass386.15
IUPAC NameN-[(1R)-1-(1-adamantyl)ethyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
SMILESC[C@@H](NC(=O)Cc1csc(-c2ccsc2)n1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H26N2OS2/c1-13(21-8-14-4-15(9-21)6-16(5-14)10-21)22-19(24)7-18-12-26-20(23-18)17-2-3-25-11-17/h2-3,11-16H,4-10H2,1H3,(H,22,24)/t13-,14?,15?,16?,21?/m1/s1
InChIKeyAOZRMBBUPFBPGZ-BUBBNXEVSA-N
XLogP5.14
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.59
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(1-adamantyl)ethyl]-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide
CID 7669216
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 40819824
N-(4-phenylbutan-2-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 18203864
N-cyclopropyl-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 17392861
N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 18203960
N-methoxy-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 51279391
1-[[[2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115450030
N-(4-hydroxypentyl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 107300543
[2-(1-adamantyl)-2-oxoethyl] 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetate
CID 9129451
N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 40718331
N-(3-hydroxypentyl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 115703692
[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl] 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetate
CID 9130807

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1-adamantyl)ethyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[(1R)-1-(1-adamantyl)ethyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide (CID 8927323) is N-[(1R)-1-(1-adamantyl)ethyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[(1R)-1-(1-adamantyl)ethyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[(1R)-1-(1-adamantyl)ethyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide is C[C@@H](NC(=O)Cc1csc(-c2ccsc2)n1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[(1R)-1-(1-adamantyl)ethyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide?
The InChIKey is AOZRMBBUPFBPGZ-BUBBNXEVSA-N. The full InChI is InChI=1S/C21H26N2OS2/c1-13(21-8-14-4-15(9-21)6-16(5-14)10-21)22-19(24)7-18-12-26-20(23-18)17-2-3-25-11-17/h2-3,11-16H,4-10H2,1H3,(H,22,24)/t13-,14?,15?,16?,21?/m1/s1.
What are the key properties of N-[(1R)-1-(1-adamantyl)ethyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide?
N-[(1R)-1-(1-adamantyl)ethyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 386.59 g/mol, XLogP of 5.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1-adamantyl)ethyl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 8927323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).