N-[4-[[1-adamantylmethyl(methyl)amino]methyl]-1,3-thiazol-2-yl]acetamide

C18H27N3OS — CID 35174374

IUPACN-[4-[[1-adamantylmethyl(methyl)amino]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(CN(C)CC23CC4CC(CC(C4)C2)C3)cs1
InChIInChI=1S/C18H27N3OS/c1-12(22)19-17-20-16(10-23-17)9-21(2)11-18-6-13-3-14(7-18)5-15(4-13)8-18/h10,13-15H,3-9,11H2,1-2H3,(H,19,20,22)
InChIKeyARGYTKVEEQQOOF-UHFFFAOYSA-N
MW333.50 g/mol
LogP3.75
Rot. Bonds5

About N-[4-[[1-adamantylmethyl(methyl)amino]methyl]-1,3-thiazol-2-yl]acetamide

N-[4-[[1-adamantylmethyl(methyl)amino]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 35174374) has the molecular formula C18H27N3OS and a molecular weight of 333.50 g/mol. Its IUPAC name is N-[4-[[1-adamantylmethyl(methyl)amino]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-[[1-adamantylmethyl(methyl)amino]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID35174374
Molecular FormulaC18H27N3OS
Molecular Weight333.50 g/mol
Exact Mass333.19
IUPAC NameN-[4-[[1-adamantylmethyl(methyl)amino]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(CN(C)CC23CC4CC(CC(C4)C2)C3)cs1
InChIInChI=1S/C18H27N3OS/c1-12(22)19-17-20-16(10-23-17)9-21(2)11-18-6-13-3-14(7-18)5-15(4-13)8-18/h10,13-15H,3-9,11H2,1-2H3,(H,19,20,22)
InChIKeyARGYTKVEEQQOOF-UHFFFAOYSA-N
XLogP3.75
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.50
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[1-adamantylmethyl(methyl)amino]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-[[1-adamantylmethyl(methyl)amino]methyl]-1,3-thiazol-2-yl]acetamide (CID 35174374) is N-[4-[[1-adamantylmethyl(methyl)amino]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-[[1-adamantylmethyl(methyl)amino]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-[[1-adamantylmethyl(methyl)amino]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(CN(C)CC23CC4CC(CC(C4)C2)C3)cs1.
What is the InChIKey of N-[4-[[1-adamantylmethyl(methyl)amino]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is ARGYTKVEEQQOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3OS/c1-12(22)19-17-20-16(10-23-17)9-21(2)11-18-6-13-3-14(7-18)5-15(4-13)8-18/h10,13-15H,3-9,11H2,1-2H3,(H,19,20,22).
What are the key properties of N-[4-[[1-adamantylmethyl(methyl)amino]methyl]-1,3-thiazol-2-yl]acetamide?
N-[4-[[1-adamantylmethyl(methyl)amino]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 333.50 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[1-adamantylmethyl(methyl)amino]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 35174374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).