2-(4-ethylphenoxy)-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]acetamide

C18H22N2O2S — CID 42280085

IUPAC2-(4-ethylphenoxy)-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]acetamide
SMILESCCc1ccc(OCC(=O)Nc2nc3c(s2)C[C@@H](C)CC3)cc1
InChIInChI=1S/C18H22N2O2S/c1-3-13-5-7-14(8-6-13)22-11-17(21)20-18-19-15-9-4-12(2)10-16(15)23-18/h5-8,12H,3-4,9-11H2,1-2H3,(H,19,20,21)/t12-/m0/s1
InChIKeyCWCJCFDNEGNHID-LBPRGKRZSA-N
MW330.45 g/mol
LogP3.85
Rot. Bonds5

About 2-(4-ethylphenoxy)-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]acetamide

2-(4-ethylphenoxy)-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]acetamide (PubChem CID 42280085) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is 2-(4-ethylphenoxy)-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-ethylphenoxy)-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]acetamide
PubChem CID42280085
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC Name2-(4-ethylphenoxy)-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]acetamide
SMILESCCc1ccc(OCC(=O)Nc2nc3c(s2)C[C@@H](C)CC3)cc1
InChIInChI=1S/C18H22N2O2S/c1-3-13-5-7-14(8-6-13)22-11-17(21)20-18-19-15-9-4-12(2)10-16(15)23-18/h5-8,12H,3-4,9-11H2,1-2H3,(H,19,20,21)/t12-/m0/s1
InChIKeyCWCJCFDNEGNHID-LBPRGKRZSA-N
XLogP3.85
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-ethylphenoxy)-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]acetamide with MolForge

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Related Compounds

2-(4-fluorophenoxy)-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 17010819
N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(4-propanoylphenoxy)acetamide
CID 46601361
2-(4-fluorophenyl)-N-[(6R)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]acetamide
CID 7597148
N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-4-propoxybenzamide
CID 42279683
2-(2,4-dichlorophenoxy)-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 4861044
2-(2,4-dichlorophenoxy)-N-[(6R)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]acetamide
CID 40744884
2-(4-ethoxyphenoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 3298902
2-(4-bromophenoxy)-N-[(6S)-6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]acetamide
CID 42280047
2-(3,4-dimethoxyphenyl)-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 16911849
2-(4-tert-butylphenoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 17011876
N-[2-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-4-propan-2-yloxybenzamide
CID 24575552
4-(4-methoxyphenyl)sulfonyl-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]butanamide
CID 41411688

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenoxy)-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]acetamide?
The IUPAC name of 2-(4-ethylphenoxy)-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]acetamide (CID 42280085) is 2-(4-ethylphenoxy)-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]acetamide.
What is the SMILES notation for 2-(4-ethylphenoxy)-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]acetamide?
The canonical SMILES for 2-(4-ethylphenoxy)-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]acetamide is CCc1ccc(OCC(=O)Nc2nc3c(s2)C[C@@H](C)CC3)cc1.
What is the InChIKey of 2-(4-ethylphenoxy)-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]acetamide?
The InChIKey is CWCJCFDNEGNHID-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-3-13-5-7-14(8-6-13)22-11-17(21)20-18-19-15-9-4-12(2)10-16(15)23-18/h5-8,12H,3-4,9-11H2,1-2H3,(H,19,20,21)/t12-/m0/s1.
What are the key properties of 2-(4-ethylphenoxy)-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]acetamide?
2-(4-ethylphenoxy)-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]acetamide has a molecular weight of 330.45 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenoxy)-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]acetamide is sourced from PubChem (CID 42280085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).