N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-methylpropanamide

C17H24N2OS — CID 24575844

IUPACN-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1
InChIInChI=1S/C17H24N2OS/c1-10(2)15(20)19-16-18-14(9-21-16)17-6-11-3-12(7-17)5-13(4-11)8-17/h9-13H,3-8H2,1-2H3,(H,18,19,20)
InChIKeyTXSCDVONRXAPOC-UHFFFAOYSA-N
MW304.46 g/mol
LogP4.21
Rot. Bonds3

About N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-methylpropanamide

N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-methylpropanamide (PubChem CID 24575844) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-methylpropanamide
PubChem CID24575844
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC NameN-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1
InChIInChI=1S/C17H24N2OS/c1-10(2)15(20)19-16-18-14(9-21-16)17-6-11-3-12(7-17)5-13(4-11)8-17/h9-13H,3-8H2,1-2H3,(H,18,19,20)
InChIKeyTXSCDVONRXAPOC-UHFFFAOYSA-N
XLogP4.21
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-methylpropanamide?
The IUPAC name of N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-methylpropanamide (CID 24575844) is N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-methylpropanamide.
What is the SMILES notation for N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-methylpropanamide?
The canonical SMILES for N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-methylpropanamide is CC(C)C(=O)Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1.
What is the InChIKey of N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-methylpropanamide?
The InChIKey is TXSCDVONRXAPOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-10(2)15(20)19-16-18-14(9-21-16)17-6-11-3-12(7-17)5-13(4-11)8-17/h9-13H,3-8H2,1-2H3,(H,18,19,20).
What are the key properties of N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-methylpropanamide?
N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-methylpropanamide has a molecular weight of 304.46 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-2-methylpropanamide is sourced from PubChem (CID 24575844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).