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

C16H18N2OS — CID 2190013

IUPAC2-(4-methylphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
SMILESCc1ccc(CC(=O)Nc2nc3c(s2)CCCC3)cc1
InChIInChI=1S/C16H18N2OS/c1-11-6-8-12(9-7-11)10-15(19)18-16-17-13-4-2-3-5-14(13)20-16/h6-9H,2-5,10H2,1H3,(H,17,18,19)
InChIKeyWBZPPDQAVAACQN-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.51
Rot. Bonds3

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

2-(4-methylphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide (PubChem CID 2190013) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is 2-(4-methylphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-methylphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
PubChem CID2190013
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC Name2-(4-methylphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
SMILESCc1ccc(CC(=O)Nc2nc3c(s2)CCCC3)cc1
InChIInChI=1S/C16H18N2OS/c1-11-6-8-12(9-7-11)10-15(19)18-16-17-13-4-2-3-5-14(13)20-16/h6-9H,2-5,10H2,1H3,(H,17,18,19)
InChIKeyWBZPPDQAVAACQN-UHFFFAOYSA-N
XLogP3.51
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-2-Benzothiazolylbenzeneacetamide
CID 591403
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-4-tert-butylbenzamide
CID 733782
N-(4,5-dimethyl-1,3-thiazol-2-yl)benzamide
CID 809483
N-(4-tert-butyl-1,3-thiazol-2-yl)-3-phenylpropanamide
CID 2971098
2-[(4-fluorophenyl)methylsulfanyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 2449899
N-(4-methylthiazol-2-yl)-2-phenylacetamide
CID 956653
N-(1,3-benzothiazol-2-yl)-2-(4-methylphenyl)acetamide
CID 889037
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-phenylbutanamide
CID 2931573
N-(7-Oxo-4,5,6,7-tetrahydro-benzothiazol-2-yl)-benzamide
CID 877583
N-(4-methyl-1,3-thiazol-2-yl)-2-phenylbutanamide
CID 2915996
N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(2-thienyl)acetamide
CID 2945978
4-benzoyl-N-((4,5,6,7-tetrahydrobenzo[d]thiazol-2-yl)carbamothioyl)benzamide
CID 4177688

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-(4-methylphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide (CID 2190013) is 2-(4-methylphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-methylphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-methylphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide is Cc1ccc(CC(=O)Nc2nc3c(s2)CCCC3)cc1.
What is the InChIKey of 2-(4-methylphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is WBZPPDQAVAACQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c1-11-6-8-12(9-7-11)10-15(19)18-16-17-13-4-2-3-5-14(13)20-16/h6-9H,2-5,10H2,1H3,(H,17,18,19).
What are the key properties of 2-(4-methylphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide?
2-(4-methylphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 286.40 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 2190013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).