N-(1-adamantyl)-5-methyl-1,2-thiazole-3-carboxamide

C15H20N2OS — CID 84577194

IUPACN-(1-adamantyl)-5-methyl-1,2-thiazole-3-carboxamide
SMILESCc1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)ns1
InChIInChI=1S/C15H20N2OS/c1-9-2-13(17-19-9)14(18)16-15-6-10-3-11(7-15)5-12(4-10)8-15/h2,10-12H,3-8H2,1H3,(H,16,18)
InChIKeyKTHAAOFMYBNSBM-UHFFFAOYSA-N
MW276.40 g/mol
LogP3.15
Rot. Bonds2

About N-(1-adamantyl)-5-methyl-1,2-thiazole-3-carboxamide

N-(1-adamantyl)-5-methyl-1,2-thiazole-3-carboxamide (PubChem CID 84577194) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is N-(1-adamantyl)-5-methyl-1,2-thiazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-5-methyl-1,2-thiazole-3-carboxamide
PubChem CID84577194
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC NameN-(1-adamantyl)-5-methyl-1,2-thiazole-3-carboxamide
SMILESCc1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)ns1
InChIInChI=1S/C15H20N2OS/c1-9-2-13(17-19-9)14(18)16-15-6-10-3-11(7-15)5-12(4-10)8-15/h2,10-12H,3-8H2,1H3,(H,16,18)
InChIKeyKTHAAOFMYBNSBM-UHFFFAOYSA-N
XLogP3.15
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(1-adamantyl)-4-hydroxy-2-methylbenzamide
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N-(1-adamantyl)-5-aminopyridine-2-carboxamide
CID 81309951
N-(1-adamantyl)-4-fluoro-2-methylbenzamide
CID 115745078
N-(1-adamantyl)-2-chloro-4-methylbenzamide
CID 2906667
N-(1-adamantyl)-5-bromo-3-methylfuran-2-carboxamide
CID 154834349
N-(1-adamantyl)-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19449280
N-(3-amino-1-adamantyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 67480762
N-(1-adamantyl)-3,5-dichloro-4-methoxybenzamide
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CID 2848134

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-5-methyl-1,2-thiazole-3-carboxamide?
The IUPAC name of N-(1-adamantyl)-5-methyl-1,2-thiazole-3-carboxamide (CID 84577194) is N-(1-adamantyl)-5-methyl-1,2-thiazole-3-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-5-methyl-1,2-thiazole-3-carboxamide?
The canonical SMILES for N-(1-adamantyl)-5-methyl-1,2-thiazole-3-carboxamide is Cc1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)ns1.
What is the InChIKey of N-(1-adamantyl)-5-methyl-1,2-thiazole-3-carboxamide?
The InChIKey is KTHAAOFMYBNSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-9-2-13(17-19-9)14(18)16-15-6-10-3-11(7-15)5-12(4-10)8-15/h2,10-12H,3-8H2,1H3,(H,16,18).
What are the key properties of N-(1-adamantyl)-5-methyl-1,2-thiazole-3-carboxamide?
N-(1-adamantyl)-5-methyl-1,2-thiazole-3-carboxamide has a molecular weight of 276.40 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-5-methyl-1,2-thiazole-3-carboxamide is sourced from PubChem (CID 84577194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).