N-(1-adamantylmethyl)-N-methyl-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)acetamide

C21H26N4OS — CID 47059621

IUPACN-(1-adamantylmethyl)-N-methyl-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)acetamide
SMILESCN(CC12CC3CC(CC(C3)C1)C2)C(=O)Cc1csc(-c2ncccn2)n1
InChIInChI=1S/C21H26N4OS/c1-25(13-21-9-14-5-15(10-21)7-16(6-14)11-21)18(26)8-17-12-27-20(24-17)19-22-3-2-4-23-19/h2-4,12,14-16H,5-11,13H2,1H3
InChIKeyIXUVXVUTBSARIF-UHFFFAOYSA-N
MW382.53 g/mol
LogP3.82
Rot. Bonds5

About N-(1-adamantylmethyl)-N-methyl-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)acetamide

N-(1-adamantylmethyl)-N-methyl-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 47059621) has the molecular formula C21H26N4OS and a molecular weight of 382.53 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-N-methyl-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-N-methyl-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)acetamide
PubChem CID47059621
Molecular FormulaC21H26N4OS
Molecular Weight382.53 g/mol
Exact Mass382.18
IUPAC NameN-(1-adamantylmethyl)-N-methyl-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)acetamide
SMILESCN(CC12CC3CC(CC(C3)C1)C2)C(=O)Cc1csc(-c2ncccn2)n1
InChIInChI=1S/C21H26N4OS/c1-25(13-21-9-14-5-15(10-21)7-16(6-14)11-21)18(26)8-17-12-27-20(24-17)19-22-3-2-4-23-19/h2-4,12,14-16H,5-11,13H2,1H3
InChIKeyIXUVXVUTBSARIF-UHFFFAOYSA-N
XLogP3.82
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(dimethylamino)ethyl]-N-methyl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 46981951
N-ethyl-N-(furan-2-ylmethyl)-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)acetamide
CID 51087932
N-(1-adamantylmethyl)-N-methylpyrimidin-2-amine
CID 75402194
(3R)-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95719042
N-methyl-N-(2-pyridin-2-ylethyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 134017603
N-(1-adamantylmethyl)-N-methylbutanamide
CID 60682666
2-(dimethylcarbamoylamino)-N-[2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethyl]acetamide
CID 118775327
N-(1-adamantylmethyl)-N-methyl-2-(2-oxo-1-pyridinyl)acetamide
CID 51255120
N-methyl-N-(pyridin-2-ylmethyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 86839960
N-methyl-N-[(4-phenylphenyl)methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 134054093
N-(1-adamantylmethyl)-N-methyl-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 112800397
4-(chloromethyl)-2-pyrimidin-2-yl-1,3-thiazole
CID 43622191

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-N-methyl-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-(1-adamantylmethyl)-N-methyl-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)acetamide (CID 47059621) is N-(1-adamantylmethyl)-N-methyl-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-(1-adamantylmethyl)-N-methyl-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-(1-adamantylmethyl)-N-methyl-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)acetamide is CN(CC12CC3CC(CC(C3)C1)C2)C(=O)Cc1csc(-c2ncccn2)n1.
What is the InChIKey of N-(1-adamantylmethyl)-N-methyl-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)acetamide?
The InChIKey is IXUVXVUTBSARIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4OS/c1-25(13-21-9-14-5-15(10-21)7-16(6-14)11-21)18(26)8-17-12-27-20(24-17)19-22-3-2-4-23-19/h2-4,12,14-16H,5-11,13H2,1H3.
What are the key properties of N-(1-adamantylmethyl)-N-methyl-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)acetamide?
N-(1-adamantylmethyl)-N-methyl-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 382.53 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-N-methyl-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 47059621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).