2-[1-adamantylcarbamoyl(cyclohexyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide

C23H34N4O2S — CID 3264047

IUPAC2-[1-adamantylcarbamoyl(cyclohexyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1csc(NC(=O)CN(C(=O)NC23CC4CC(CC(C4)C2)C3)C2CCCCC2)n1
InChIInChI=1S/C23H34N4O2S/c1-15-14-30-21(24-15)25-20(28)13-27(19-5-3-2-4-6-19)22(29)26-23-10-16-7-17(11-23)9-18(8-16)12-23/h14,16-19H,2-13H2,1H3,(H,26,29)(H,24,25,28)
InChIKeyFSGRLLRCCKPMPY-UHFFFAOYSA-N
MW430.62 g/mol
LogP4.70
Rot. Bonds5

About 2-[1-adamantylcarbamoyl(cyclohexyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide

2-[1-adamantylcarbamoyl(cyclohexyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 3264047) has the molecular formula C23H34N4O2S and a molecular weight of 430.62 g/mol. Its IUPAC name is 2-[1-adamantylcarbamoyl(cyclohexyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[1-adamantylcarbamoyl(cyclohexyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID3264047
Molecular FormulaC23H34N4O2S
Molecular Weight430.62 g/mol
Exact Mass430.24
IUPAC Name2-[1-adamantylcarbamoyl(cyclohexyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1csc(NC(=O)CN(C(=O)NC23CC4CC(CC(C4)C2)C3)C2CCCCC2)n1
InChIInChI=1S/C23H34N4O2S/c1-15-14-30-21(24-15)25-20(28)13-27(19-5-3-2-4-6-19)22(29)26-23-10-16-7-17(11-23)9-18(8-16)12-23/h14,16-19H,2-13H2,1H3,(H,26,29)(H,24,25,28)
InChIKeyFSGRLLRCCKPMPY-UHFFFAOYSA-N
XLogP4.70
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.62
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-adamantylcarbamoyl(cyclohexyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[1-adamantylcarbamoyl(cyclohexyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide (CID 3264047) is 2-[1-adamantylcarbamoyl(cyclohexyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[1-adamantylcarbamoyl(cyclohexyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[1-adamantylcarbamoyl(cyclohexyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide is Cc1csc(NC(=O)CN(C(=O)NC23CC4CC(CC(C4)C2)C3)C2CCCCC2)n1.
What is the InChIKey of 2-[1-adamantylcarbamoyl(cyclohexyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is FSGRLLRCCKPMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O2S/c1-15-14-30-21(24-15)25-20(28)13-27(19-5-3-2-4-6-19)22(29)26-23-10-16-7-17(11-23)9-18(8-16)12-23/h14,16-19H,2-13H2,1H3,(H,26,29)(H,24,25,28).
What are the key properties of 2-[1-adamantylcarbamoyl(cyclohexyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
2-[1-adamantylcarbamoyl(cyclohexyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 430.62 g/mol, XLogP of 4.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-adamantylcarbamoyl(cyclohexyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 3264047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).