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

C16H18N2O2S — CID 3486626

IUPAC2-(4-methoxyphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
SMILESCOc1ccc(CC(=O)Nc2nc3c(s2)CCCC3)cc1
InChIInChI=1S/C16H18N2O2S/c1-20-12-8-6-11(7-9-12)10-15(19)18-16-17-13-4-2-3-5-14(13)21-16/h6-9H,2-5,10H2,1H3,(H,17,18,19)
InChIKeyIKOFQQIRJVVNKI-UHFFFAOYSA-N
MW302.40 g/mol
LogP3.21
Rot. Bonds4

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

2-(4-methoxyphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide (PubChem CID 3486626) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
PubChem CID3486626
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name2-(4-methoxyphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
SMILESCOc1ccc(CC(=O)Nc2nc3c(s2)CCCC3)cc1
InChIInChI=1S/C16H18N2O2S/c1-20-12-8-6-11(7-9-12)10-15(19)18-16-17-13-4-2-3-5-14(13)21-16/h6-9H,2-5,10H2,1H3,(H,17,18,19)
InChIKeyIKOFQQIRJVVNKI-UHFFFAOYSA-N
XLogP3.21
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)acetamide
CID 2168034
(2-Anilino-4-methyl-1,3-thiazol-5-yl)-(4-methoxyphenyl)methanone
CID 2814831
N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydrobenzo[d]thiazol-2-yl)-2-(3-methoxyphenyl)acetamide
CID 3206747
2-{[3-(4-methoxyphenyl)propanoyl]amino}-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 4466078
Casein kinase 1|A-IN-3
CID 670753
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)acetamide
CID 770971
2-(4-methoxyphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-N-phenylacetamide
CID 2467547
N-(6-trifluoromethylbenzothiazole-2-yl)-2-(4-methoxyphenyl)acetamide
CID 77106257
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)acetamide
CID 750458
N-[5-(4-methoxybenzoyl)-4-phenyl-1,3-thiazol-2-yl]benzamide
CID 982689
N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide
CID 2089709
N-(4-(3,4-difluorophenyl)thiazol-2-yl)-2-(4-methoxyphenyl)acetamide
CID 2109085

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide (CID 3486626) is 2-(4-methoxyphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide is COc1ccc(CC(=O)Nc2nc3c(s2)CCCC3)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is IKOFQQIRJVVNKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-20-12-8-6-11(7-9-12)10-15(19)18-16-17-13-4-2-3-5-14(13)21-16/h6-9H,2-5,10H2,1H3,(H,17,18,19).
What are the key properties of 2-(4-methoxyphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
2-(4-methoxyphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 302.40 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 3486626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).