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

C19H24N2O2S — CID 3630491

IUPAC2-(3-methyl-4-propan-2-ylphenoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
SMILESCc1cc(OCC(=O)Nc2nc3c(s2)CCCC3)ccc1C(C)C
InChIInChI=1S/C19H24N2O2S/c1-12(2)15-9-8-14(10-13(15)3)23-11-18(22)21-19-20-16-6-4-5-7-17(16)24-19/h8-10,12H,4-7,11H2,1-3H3,(H,20,21,22)
InChIKeyFGRLUKOULRDYPM-UHFFFAOYSA-N
MW344.48 g/mol
LogP4.47
Rot. Bonds5

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

2-(3-methyl-4-propan-2-ylphenoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide (PubChem CID 3630491) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is 2-(3-methyl-4-propan-2-ylphenoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(3-methyl-4-propan-2-ylphenoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
PubChem CID3630491
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC Name2-(3-methyl-4-propan-2-ylphenoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
SMILESCc1cc(OCC(=O)Nc2nc3c(s2)CCCC3)ccc1C(C)C
InChIInChI=1S/C19H24N2O2S/c1-12(2)15-9-8-14(10-13(15)3)23-11-18(22)21-19-20-16-6-4-5-7-17(16)24-19/h8-10,12H,4-7,11H2,1-3H3,(H,20,21,22)
InChIKeyFGRLUKOULRDYPM-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

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Related Compounds

2-(4-ethoxyphenoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 3298902
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-(3-methoxyphenoxy)acetamide
CID 84559858
2-(4-tert-butylphenoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 17011876
2-(3-acetamidophenoxy)-N-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)acetamide
CID 30377211
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 19218344
N-(6-tert-butyl-1,3-benzothiazol-2-yl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 53268763
N-(6-butyl-1,3-benzothiazol-2-yl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 19210029
2-(3,4-dimethylphenoxy)-N-[5-(3-methylbutanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
CID 108749829
N-[4-(4-bromophenyl)-5-ethyl-1,3-thiazol-2-yl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 19228023
2-[3-(2-oxopyrrolidin-1-yl)phenoxy]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 43021553
N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-2-methoxyacetamide
CID 47379488
2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 2467163

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-4-propan-2-ylphenoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-(3-methyl-4-propan-2-ylphenoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide (CID 3630491) is 2-(3-methyl-4-propan-2-ylphenoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-(3-methyl-4-propan-2-ylphenoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-(3-methyl-4-propan-2-ylphenoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide is Cc1cc(OCC(=O)Nc2nc3c(s2)CCCC3)ccc1C(C)C.
What is the InChIKey of 2-(3-methyl-4-propan-2-ylphenoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is FGRLUKOULRDYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-12(2)15-9-8-14(10-13(15)3)23-11-18(22)21-19-20-16-6-4-5-7-17(16)24-19/h8-10,12H,4-7,11H2,1-3H3,(H,20,21,22).
What are the key properties of 2-(3-methyl-4-propan-2-ylphenoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
2-(3-methyl-4-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-(3-methyl-4-propan-2-ylphenoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 3630491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).