N-[2-[[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]-2,2-dimethylpropanamide

C19H28N4O2S — CID 78802894

IUPACN-[2-[[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCC(=O)Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1
InChIInChI=1S/C19H28N4O2S/c1-18(2,3)15(25)20-10-14(24)21-17-23-22-16(26-17)19-7-11-4-12(8-19)6-13(5-11)9-19/h11-13H,4-10H2,1-3H3,(H,20,25)(H,21,23,24)
InChIKeyPKDWGHCCXQATGV-UHFFFAOYSA-N
MW376.53 g/mol
LogP3.11
Rot. Bonds4

About N-[2-[[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]-2,2-dimethylpropanamide

N-[2-[[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]-2,2-dimethylpropanamide (PubChem CID 78802894) has the molecular formula C19H28N4O2S and a molecular weight of 376.53 g/mol. Its IUPAC name is N-[2-[[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-[[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]-2,2-dimethylpropanamide
PubChem CID78802894
Molecular FormulaC19H28N4O2S
Molecular Weight376.53 g/mol
Exact Mass376.19
IUPAC NameN-[2-[[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCC(=O)Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1
InChIInChI=1S/C19H28N4O2S/c1-18(2,3)15(25)20-10-14(24)21-17-23-22-16(26-17)19-7-11-4-12(8-19)6-13(5-11)9-19/h11-13H,4-10H2,1-3H3,(H,20,25)(H,21,23,24)
InChIKeyPKDWGHCCXQATGV-UHFFFAOYSA-N
XLogP3.11
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.53
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-[[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]-2,2-dimethylpropanamide (CID 78802894) is N-[2-[[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-[[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-[[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCC(=O)Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1.
What is the InChIKey of N-[2-[[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]-2,2-dimethylpropanamide?
The InChIKey is PKDWGHCCXQATGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2S/c1-18(2,3)15(25)20-10-14(24)21-17-23-22-16(26-17)19-7-11-4-12(8-19)6-13(5-11)9-19/h11-13H,4-10H2,1-3H3,(H,20,25)(H,21,23,24).
What are the key properties of N-[2-[[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]-2,2-dimethylpropanamide?
N-[2-[[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]-2,2-dimethylpropanamide has a molecular weight of 376.53 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[5-(1-adamantyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 78802894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).