2-[4-(1-adamantyl)-1,3-thiazol-2-yl]-N-benzylacetamide

C22H26N2OS — CID 9232942

IUPAC2-[4-(1-adamantyl)-1,3-thiazol-2-yl]-N-benzylacetamide
SMILESO=C(Cc1nc(C23CC4CC(CC(C4)C2)C3)cs1)NCc1ccccc1
InChIInChI=1S/C22H26N2OS/c25-20(23-13-15-4-2-1-3-5-15)9-21-24-19(14-26-21)22-10-16-6-17(11-22)8-18(7-16)12-22/h1-5,14,16-18H,6-13H2,(H,23,25)
InChIKeySUDHQDDZJRVMJR-UHFFFAOYSA-N
MW366.53 g/mol
LogP4.47
Rot. Bonds5

About 2-[4-(1-adamantyl)-1,3-thiazol-2-yl]-N-benzylacetamide

2-[4-(1-adamantyl)-1,3-thiazol-2-yl]-N-benzylacetamide (PubChem CID 9232942) has the molecular formula C22H26N2OS and a molecular weight of 366.53 g/mol. Its IUPAC name is 2-[4-(1-adamantyl)-1,3-thiazol-2-yl]-N-benzylacetamide.

Molecular Properties

Compound Name2-[4-(1-adamantyl)-1,3-thiazol-2-yl]-N-benzylacetamide
PubChem CID9232942
Molecular FormulaC22H26N2OS
Molecular Weight366.53 g/mol
Exact Mass366.18
IUPAC Name2-[4-(1-adamantyl)-1,3-thiazol-2-yl]-N-benzylacetamide
SMILESO=C(Cc1nc(C23CC4CC(CC(C4)C2)C3)cs1)NCc1ccccc1
InChIInChI=1S/C22H26N2OS/c25-20(23-13-15-4-2-1-3-5-15)9-21-24-19(14-26-21)22-10-16-6-17(11-22)8-18(7-16)12-22/h1-5,14,16-18H,6-13H2,(H,23,25)
InChIKeySUDHQDDZJRVMJR-UHFFFAOYSA-N
XLogP4.47
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.53
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-4-yl]acetic acid
CID 9148295
ethyl 2-[2-(benzylamino)-2-oxoethyl]-1,3-thiazole-4-carboxylate
CID 99816625
2-(1-adamantyl)-N-benzylacetamide
CID 3560004
N-benzyl-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 9232879
N-benzyl-2-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]acetamide
CID 17469813
N-benzyl-2-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide
CID 9233048
N-benzyl-2-(3-phenyl-1-adamantyl)acetamide
CID 2953915
N-[4-[2-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-4-yl]phenyl]butanamide
CID 9233346
[[4-(1-adamantyl)-1,3-thiazol-2-yl]carbamoylamino]methyl-triphenylphosphanium
CID 4205633
2-(2-amino-1,3-thiazol-4-yl)-N-benzylacetamide
CID 39733641
N-benzyl-2-[4-[[cyclohexyl-[(4-fluorophenyl)methyl]amino]methyl]-1,3-thiazol-2-yl]acetamide
CID 17499279
2-[2-[2-[(4-hydroxyphenyl)methylamino]-2-oxoethyl]-1,3-thiazol-4-yl]acetate
CID 9148100

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-adamantyl)-1,3-thiazol-2-yl]-N-benzylacetamide?
The IUPAC name of 2-[4-(1-adamantyl)-1,3-thiazol-2-yl]-N-benzylacetamide (CID 9232942) is 2-[4-(1-adamantyl)-1,3-thiazol-2-yl]-N-benzylacetamide.
What is the SMILES notation for 2-[4-(1-adamantyl)-1,3-thiazol-2-yl]-N-benzylacetamide?
The canonical SMILES for 2-[4-(1-adamantyl)-1,3-thiazol-2-yl]-N-benzylacetamide is O=C(Cc1nc(C23CC4CC(CC(C4)C2)C3)cs1)NCc1ccccc1.
What is the InChIKey of 2-[4-(1-adamantyl)-1,3-thiazol-2-yl]-N-benzylacetamide?
The InChIKey is SUDHQDDZJRVMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2OS/c25-20(23-13-15-4-2-1-3-5-15)9-21-24-19(14-26-21)22-10-16-6-17(11-22)8-18(7-16)12-22/h1-5,14,16-18H,6-13H2,(H,23,25).
What are the key properties of 2-[4-(1-adamantyl)-1,3-thiazol-2-yl]-N-benzylacetamide?
2-[4-(1-adamantyl)-1,3-thiazol-2-yl]-N-benzylacetamide has a molecular weight of 366.53 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-adamantyl)-1,3-thiazol-2-yl]-N-benzylacetamide is sourced from PubChem (CID 9232942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).