N-(3-amino-1-adamantyl)-2-methyl-1,3-thiazole-4-carboxamide

C15H21N3OS — CID 67480762

IUPACN-(3-amino-1-adamantyl)-2-methyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NC23CC4CC(CC(N)(C4)C2)C3)cs1
InChIInChI=1S/C15H21N3OS/c1-9-17-12(7-20-9)13(19)18-15-5-10-2-11(6-15)4-14(16,3-10)8-15/h7,10-11H,2-6,8,16H2,1H3,(H,18,19)
InChIKeyDCJQCGCLDKQQNG-UHFFFAOYSA-N
MW291.42 g/mol
LogP2.23
Rot. Bonds2

About N-(3-amino-1-adamantyl)-2-methyl-1,3-thiazole-4-carboxamide

N-(3-amino-1-adamantyl)-2-methyl-1,3-thiazole-4-carboxamide (PubChem CID 67480762) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is N-(3-amino-1-adamantyl)-2-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-amino-1-adamantyl)-2-methyl-1,3-thiazole-4-carboxamide
PubChem CID67480762
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC NameN-(3-amino-1-adamantyl)-2-methyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NC23CC4CC(CC(N)(C4)C2)C3)cs1
InChIInChI=1S/C15H21N3OS/c1-9-17-12(7-20-9)13(19)18-15-5-10-2-11(6-15)4-14(16,3-10)8-15/h7,10-11H,2-6,8,16H2,1H3,(H,18,19)
InChIKeyDCJQCGCLDKQQNG-UHFFFAOYSA-N
XLogP2.23
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-1-adamantyl)benzamide
CID 67481027
N-(1-adamantyl)-2-(2-aminoethyl)-1,3-thiazole-4-carboxamide
CID 66373028
N-(3-amino-1-adamantyl)-6-methylpyridine-2-carboxamide;6-(trifluoromethyl)pyridine-2-carboxylic acid
CID 162621415
N-(1-adamantyl)-2-(1-aminopentyl)-1,3-thiazole-4-carboxamide
CID 5177534
N-(3-amino-1-adamantyl)-6-methylpyrazine-2-carboxamide;4-(trifluoromethyl)pyrimidine-2-carboxylic acid
CID 162621516
N-[(5S,7R)-3-amino-1-adamantyl]-6-phenylpyridine-3-carboxamide
CID 175969711
N-(1-adamantyl)-5-methyl-1,2-thiazole-3-carboxamide
CID 84577194
1-methyl-N-[3-[(1-methylpyrazole-3-carbonyl)amino]-1-adamantyl]pyrazole-3-carboxamide
CID 44633202
N,2-dimethyl-1,3-thiazole-4-carboxamide;methanol
CID 90101890
N-[3-[(4-bromopyridine-2-carbonyl)amino]-1-adamantyl]-6-methylpyridine-2-carboxamide
CID 58358628
N-[1-(bromomethyl)cyclopentyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 114311521
2-(2-methyl-1,3-thiazol-4-yl)-N-[3-(tetrazol-2-yl)-1-adamantyl]acetamide
CID 131932570

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-1-adamantyl)-2-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(3-amino-1-adamantyl)-2-methyl-1,3-thiazole-4-carboxamide (CID 67480762) is N-(3-amino-1-adamantyl)-2-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(3-amino-1-adamantyl)-2-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(3-amino-1-adamantyl)-2-methyl-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)NC23CC4CC(CC(N)(C4)C2)C3)cs1.
What is the InChIKey of N-(3-amino-1-adamantyl)-2-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is DCJQCGCLDKQQNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-9-17-12(7-20-9)13(19)18-15-5-10-2-11(6-15)4-14(16,3-10)8-15/h7,10-11H,2-6,8,16H2,1H3,(H,18,19).
What are the key properties of N-(3-amino-1-adamantyl)-2-methyl-1,3-thiazole-4-carboxamide?
N-(3-amino-1-adamantyl)-2-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 291.42 g/mol, XLogP of 2.23, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-1-adamantyl)-2-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 67480762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).