N-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-2-(4-methylphenoxy)acetamide

C16H19N3O2S — CID 110866748

IUPACN-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)NC2CCc3nc(N)sc3C2)cc1
InChIInChI=1S/C16H19N3O2S/c1-10-2-5-12(6-3-10)21-9-15(20)18-11-4-7-13-14(8-11)22-16(17)19-13/h2-3,5-6,11H,4,7-9H2,1H3,(H2,17,19)(H,18,20)
InChIKeyRAXTWSDNMYZBTH-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.09
Rot. Bonds4

About N-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-2-(4-methylphenoxy)acetamide

N-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-2-(4-methylphenoxy)acetamide (PubChem CID 110866748) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-2-(4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-2-(4-methylphenoxy)acetamide
PubChem CID110866748
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC NameN-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)NC2CCc3nc(N)sc3C2)cc1
InChIInChI=1S/C16H19N3O2S/c1-10-2-5-12(6-3-10)21-9-15(20)18-11-4-7-13-14(8-11)22-16(17)19-13/h2-3,5-6,11H,4,7-9H2,1H3,(H2,17,19)(H,18,20)
InChIKeyRAXTWSDNMYZBTH-UHFFFAOYSA-N
XLogP2.09
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-2-(4-methylphenoxy)acetamide with MolForge

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Related Compounds

N-[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]propanamide;(6S)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine
CID 175005405
N-cyclododecyl-2-(4-methylphenoxy)acetamide
CID 2788426
N-(4-aminocyclohexyl)-2-(4-methylphenoxy)acetamide;hydrochloride
CID 119474987
N-cyclohexyl-2-[4-(4-methylphenyl)phenoxy]acetamide
CID 720119
N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-(4-methylphenoxy)acetamide
CID 90543617
2-(4-methylphenoxy)-N-[(3S)-pyrrolidin-3-yl]acetamide
CID 94803257
N-[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]quinazoline-2-carboxamide
CID 166318457
2-(4-fluorophenoxy)-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 17010819
N-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-2-[3-(benzylsulfonylamino)-6-methyl-2-oxo-1-pyridinyl]acetamide
CID 10051154
2-(4-methylphenoxy)-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119450091
2-(4-methylphenoxy)-N-[(1S,2S)-2-[[2-(4-methylphenoxy)acetyl]amino]cyclohexyl]acetamide
CID 1012632
2-(4-ethylphenoxy)-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]acetamide
CID 42280085

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-2-(4-methylphenoxy)acetamide?
The IUPAC name of N-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-2-(4-methylphenoxy)acetamide (CID 110866748) is N-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-2-(4-methylphenoxy)acetamide.
What is the SMILES notation for N-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-2-(4-methylphenoxy)acetamide?
The canonical SMILES for N-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-2-(4-methylphenoxy)acetamide is Cc1ccc(OCC(=O)NC2CCc3nc(N)sc3C2)cc1.
What is the InChIKey of N-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-2-(4-methylphenoxy)acetamide?
The InChIKey is RAXTWSDNMYZBTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-10-2-5-12(6-3-10)21-9-15(20)18-11-4-7-13-14(8-11)22-16(17)19-13/h2-3,5-6,11H,4,7-9H2,1H3,(H2,17,19)(H,18,20).
What are the key properties of N-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-2-(4-methylphenoxy)acetamide?
N-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-2-(4-methylphenoxy)acetamide has a molecular weight of 317.41 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-2-(4-methylphenoxy)acetamide is sourced from PubChem (CID 110866748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).