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

C20H28N4O2S — CID 4595053

IUPAC2-[1-adamantylcarbamoyl(cyclopropyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1csc(NC(=O)CN(C(=O)NC23CC4CC(CC(C4)C2)C3)C2CC2)n1
InChIInChI=1S/C20H28N4O2S/c1-12-11-27-18(21-12)22-17(25)10-24(16-2-3-16)19(26)23-20-7-13-4-14(8-20)6-15(5-13)9-20/h11,13-16H,2-10H2,1H3,(H,23,26)(H,21,22,25)
InChIKeyKWIBUSIDUCVALI-UHFFFAOYSA-N
MW388.54 g/mol
LogP3.53
Rot. Bonds5

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

2-[1-adamantylcarbamoyl(cyclopropyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 4595053) has the molecular formula C20H28N4O2S and a molecular weight of 388.54 g/mol. Its IUPAC name is 2-[1-adamantylcarbamoyl(cyclopropyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[1-adamantylcarbamoyl(cyclopropyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID4595053
Molecular FormulaC20H28N4O2S
Molecular Weight388.54 g/mol
Exact Mass388.19
IUPAC Name2-[1-adamantylcarbamoyl(cyclopropyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1csc(NC(=O)CN(C(=O)NC23CC4CC(CC(C4)C2)C3)C2CC2)n1
InChIInChI=1S/C20H28N4O2S/c1-12-11-27-18(21-12)22-17(25)10-24(16-2-3-16)19(26)23-20-7-13-4-14(8-20)6-15(5-13)9-20/h11,13-16H,2-10H2,1H3,(H,23,26)(H,21,22,25)
InChIKeyKWIBUSIDUCVALI-UHFFFAOYSA-N
XLogP3.53
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.54
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-adamantylcarbamoyl(cyclopropyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[1-adamantylcarbamoyl(cyclopropyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide (CID 4595053) is 2-[1-adamantylcarbamoyl(cyclopropyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[1-adamantylcarbamoyl(cyclopropyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[1-adamantylcarbamoyl(cyclopropyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide is Cc1csc(NC(=O)CN(C(=O)NC23CC4CC(CC(C4)C2)C3)C2CC2)n1.
What is the InChIKey of 2-[1-adamantylcarbamoyl(cyclopropyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is KWIBUSIDUCVALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2S/c1-12-11-27-18(21-12)22-17(25)10-24(16-2-3-16)19(26)23-20-7-13-4-14(8-20)6-15(5-13)9-20/h11,13-16H,2-10H2,1H3,(H,23,26)(H,21,22,25).
What are the key properties of 2-[1-adamantylcarbamoyl(cyclopropyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
2-[1-adamantylcarbamoyl(cyclopropyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 388.54 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-adamantylcarbamoyl(cyclopropyl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 4595053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).