2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methyl-1,3-thiazole-4-carboxamide

C13H19N3OS — CID 63681607

IUPAC2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methyl-1,3-thiazole-4-carboxamide
SMILESCN(CC1CC2CCC1C2)C(=O)c1csc(N)n1
InChIInChI=1S/C13H19N3OS/c1-16(12(17)11-7-18-13(14)15-11)6-10-5-8-2-3-9(10)4-8/h7-10H,2-6H2,1H3,(H2,14,15)
InChIKeyOLRZMDOAPOYUNI-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.23
Rot. Bonds3

About 2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methyl-1,3-thiazole-4-carboxamide

2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methyl-1,3-thiazole-4-carboxamide (PubChem CID 63681607) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is 2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methyl-1,3-thiazole-4-carboxamide
PubChem CID63681607
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC Name2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methyl-1,3-thiazole-4-carboxamide
SMILESCN(CC1CC2CCC1C2)C(=O)c1csc(N)n1
InChIInChI=1S/C13H19N3OS/c1-16(12(17)11-7-18-13(14)15-11)6-10-5-8-2-3-9(10)4-8/h7-10H,2-6H2,1H3,(H2,14,15)
InChIKeyOLRZMDOAPOYUNI-UHFFFAOYSA-N
XLogP2.23
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methyl-6-(methylamino)pyridine-2-carboxamide
CID 63686503
6-[2-bicyclo[2.2.1]heptanylmethyl(methyl)carbamoyl]pyridine-3-carboxylic acid
CID 63686486
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-(ethylamino)-N-methylpyridine-2-carboxamide
CID 63685756
N-(2-bicyclo[2.2.1]heptanylmethyl)-6-bromo-N-methylpyridine-3-carboxamide
CID 66464343
3-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-2,5-difluoro-N-methylbenzamide
CID 107121074
N-(2-bicyclo[2.2.1]heptanylmethyl)-3,4,5-trifluoro-N-methylbenzamide
CID 63682271
4-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 63688273
2-amino-N-[3-(dimethylamino)propyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 63692953
N-(2-bicyclo[2.2.1]heptanylmethyl)-3,4-dihydroxy-N-methylbenzamide
CID 107728501
3-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-4-methoxy-N-methylbenzamide
CID 63688831
5-amino-6-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]pyridine-2-carboxylic acid
CID 114406641
ethyl 2-[2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1,3-thiazol-4-yl]acetate
CID 80574960

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methyl-1,3-thiazole-4-carboxamide (CID 63681607) is 2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methyl-1,3-thiazole-4-carboxamide is CN(CC1CC2CCC1C2)C(=O)c1csc(N)n1.
What is the InChIKey of 2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is OLRZMDOAPOYUNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-16(12(17)11-7-18-13(14)15-11)6-10-5-8-2-3-9(10)4-8/h7-10H,2-6H2,1H3,(H2,14,15).
What are the key properties of 2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methyl-1,3-thiazole-4-carboxamide?
2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 265.38 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 63681607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).