2-(5-methyl-2-propan-2-ylphenoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide

C19H24N2O2S — CID 3604644

IUPAC2-(5-methyl-2-propan-2-ylphenoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
SMILESCc1ccc(C(C)C)c(OCC(=O)Nc2nc3c(s2)CCCC3)c1
InChIInChI=1S/C19H24N2O2S/c1-12(2)14-9-8-13(3)10-16(14)23-11-18(22)21-19-20-15-6-4-5-7-17(15)24-19/h8-10,12H,4-7,11H2,1-3H3,(H,20,21,22)
InChIKeySFZHXKKFPUUGGX-UHFFFAOYSA-N
MW344.48 g/mol
LogP4.47
Rot. Bonds5

About 2-(5-methyl-2-propan-2-ylphenoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide

2-(5-methyl-2-propan-2-ylphenoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide (PubChem CID 3604644) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is 2-(5-methyl-2-propan-2-ylphenoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(5-methyl-2-propan-2-ylphenoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
PubChem CID3604644
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC Name2-(5-methyl-2-propan-2-ylphenoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
SMILESCc1ccc(C(C)C)c(OCC(=O)Nc2nc3c(s2)CCCC3)c1
InChIInChI=1S/C19H24N2O2S/c1-12(2)14-9-8-13(3)10-16(14)23-11-18(22)21-19-20-15-6-4-5-7-17(15)24-19/h8-10,12H,4-7,11H2,1-3H3,(H,20,21,22)
InChIKeySFZHXKKFPUUGGX-UHFFFAOYSA-N
XLogP4.47
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(5-methyl-2-propan-2-ylphenoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide with MolForge

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Related Compounds

(2S)-2-amino-N-[5-benzyl-4-(phenoxymethyl)-1,3-thiazol-2-yl]propanamide
CID 23646354
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 2122608
N-(5-methyl-6,7-dihydro-4H-thiazolo[5,4-c]pyridin-2-yl)-2-(2-naphthalenyloxy)acetamide
CID 2124858
N-(6-methyl-4,5,6,7-tetrahydrobenzo[d]thiazol-2-yl)-2,3-dihydrobenzo[b][1,4]dioxine-2-carboxamide
CID 3293415
2-(3,5-dimethylphenoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
CID 16015290
2-(4-fluorophenoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butanamide
CID 16015295
N-(6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(4-fluorophenoxy)acetamide
CID 16016003
2-(2-methoxyphenoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 735180
2-phenoxy-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 2306436
2-(4-methoxyphenoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 2388124
2-(4-fluorophenoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 7948483
(2S)-2-amino-N-{5-benzyl-4-[(naphthalen-1-yloxy)methyl]-1,3-thiazol-2-yl}propanamide
CID 23646356

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2-propan-2-ylphenoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-(5-methyl-2-propan-2-ylphenoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide (CID 3604644) is 2-(5-methyl-2-propan-2-ylphenoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-(5-methyl-2-propan-2-ylphenoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-(5-methyl-2-propan-2-ylphenoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide is Cc1ccc(C(C)C)c(OCC(=O)Nc2nc3c(s2)CCCC3)c1.
What is the InChIKey of 2-(5-methyl-2-propan-2-ylphenoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is SFZHXKKFPUUGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-12(2)14-9-8-13(3)10-16(14)23-11-18(22)21-19-20-15-6-4-5-7-17(15)24-19/h8-10,12H,4-7,11H2,1-3H3,(H,20,21,22).
What are the key properties of 2-(5-methyl-2-propan-2-ylphenoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
2-(5-methyl-2-propan-2-ylphenoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 344.48 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2-propan-2-ylphenoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 3604644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).