2-(1-adamantyl)-N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)acetamide

C21H26N2O3S — CID 3320043

IUPAC2-(1-adamantyl)-N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)acetamide
SMILESCOc1cc(OC)c2nc(NC(=O)CC34CC5CC(CC(C5)C3)C4)sc2c1
InChIInChI=1S/C21H26N2O3S/c1-25-15-6-16(26-2)19-17(7-15)27-20(23-19)22-18(24)11-21-8-12-3-13(9-21)5-14(4-12)10-21/h6-7,12-14H,3-5,8-11H2,1-2H3,(H,22,23,24)
InChIKeyRCXOSYSSKRGGNQ-UHFFFAOYSA-N
MW386.52 g/mol
LogP4.86
Rot. Bonds5

About 2-(1-adamantyl)-N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)acetamide

2-(1-adamantyl)-N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)acetamide (PubChem CID 3320043) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)acetamide
PubChem CID3320043
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC Name2-(1-adamantyl)-N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)acetamide
SMILESCOc1cc(OC)c2nc(NC(=O)CC34CC5CC(CC(C5)C3)C4)sc2c1
InChIInChI=1S/C21H26N2O3S/c1-25-15-6-16(26-2)19-17(7-15)27-20(23-19)22-18(24)11-21-8-12-3-13(9-21)5-14(4-12)10-21/h6-7,12-14H,3-5,8-11H2,1-2H3,(H,22,23,24)
InChIKeyRCXOSYSSKRGGNQ-UHFFFAOYSA-N
XLogP4.86
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-2-phenylacetamide
CID 4557888
N-[(4,6-dimethoxy-1,3-benzothiazol-2-yl)carbamothioyl]acetamide
CID 3297361
2-(4-chloro-2-methylphenoxy)-N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)acetamide
CID 3301684
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(1-adamantyl)acetamide
CID 3981360
4,6-dimethoxy-N-methyl-1,3-benzothiazol-2-amine
CID 82105804
(4,6-dimethoxy-1,3-benzothiazol-2-yl)hydrazine
CID 5228893
N'-[2-(1-adamantyl)acetyl]-3,5-dimethoxybenzohydrazide
CID 7742291
4,6-dimethoxy-N-propan-2-yl-1,3-benzothiazol-2-amine
CID 82105841
N-(6-amino-4-methoxy-1,3-benzothiazol-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115949179
2-chloro-N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)-5-iodobenzamide
CID 5023943
2-(1-adamantyl)-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)acetamide
CID 4921109
N'-[2-(1-adamantyl)acetyl]-3-(3,5-dimethoxyphenyl)propanehydrazide
CID 9086066

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-(1-adamantyl)-N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)acetamide (CID 3320043) is 2-(1-adamantyl)-N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)acetamide is COc1cc(OC)c2nc(NC(=O)CC34CC5CC(CC(C5)C3)C4)sc2c1.
What is the InChIKey of 2-(1-adamantyl)-N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is RCXOSYSSKRGGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-25-15-6-16(26-2)19-17(7-15)27-20(23-19)22-18(24)11-21-8-12-3-13(9-21)5-14(4-12)10-21/h6-7,12-14H,3-5,8-11H2,1-2H3,(H,22,23,24).
What are the key properties of 2-(1-adamantyl)-N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)acetamide?
2-(1-adamantyl)-N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 386.52 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-(4,6-dimethoxy-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 3320043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).