2-(1,3-benzothiazol-2-ylsulfanyl)-N-[cyclopropyl-(4-methylphenyl)methyl]acetamide

C20H20N2OS2 — CID 46526058

IUPAC2-(1,3-benzothiazol-2-ylsulfanyl)-N-[cyclopropyl-(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(C(NC(=O)CSc2nc3ccccc3s2)C2CC2)cc1
InChIInChI=1S/C20H20N2OS2/c1-13-6-8-14(9-7-13)19(15-10-11-15)22-18(23)12-24-20-21-16-4-2-3-5-17(16)25-20/h2-9,15,19H,10-12H2,1H3,(H,22,23)
InChIKeySWDMVNNITFQREG-UHFFFAOYSA-N
MW368.53 g/mol
LogP4.96
Rot. Bonds6

About 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[cyclopropyl-(4-methylphenyl)methyl]acetamide

2-(1,3-benzothiazol-2-ylsulfanyl)-N-[cyclopropyl-(4-methylphenyl)methyl]acetamide (PubChem CID 46526058) has the molecular formula C20H20N2OS2 and a molecular weight of 368.53 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[cyclopropyl-(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-ylsulfanyl)-N-[cyclopropyl-(4-methylphenyl)methyl]acetamide
PubChem CID46526058
Molecular FormulaC20H20N2OS2
Molecular Weight368.53 g/mol
Exact Mass368.10
IUPAC Name2-(1,3-benzothiazol-2-ylsulfanyl)-N-[cyclopropyl-(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(C(NC(=O)CSc2nc3ccccc3s2)C2CC2)cc1
InChIInChI=1S/C20H20N2OS2/c1-13-6-8-14(9-7-13)19(15-10-11-15)22-18(23)12-24-20-21-16-4-2-3-5-17(16)25-20/h2-9,15,19H,10-12H2,1H3,(H,22,23)
InChIKeySWDMVNNITFQREG-UHFFFAOYSA-N
XLogP4.96
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.53
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(2R)-1-hydroxypropan-2-yl]acetamide
CID 40617475
N-(2-amino-1-cyclohexylethyl)-2-(1,3-benzothiazol-2-ylsulfanyl)acetamide;hydrochloride
CID 119590714
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]acetamide
CID 7756757
N-[(2S)-1-aminopropan-2-yl]-2-(1,3-benzothiazol-2-ylsulfanyl)acetamide;hydrochloride
CID 120506197
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-methylphenyl)sulfonylacetamide
CID 1299526
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]acetamide
CID 98287953
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[cyclopropyl(phenyl)methyl]acetamide
CID 134038099
N-[cyclopropyl-(4-methylphenyl)methyl]-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 134038518
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(1-thiophen-2-ylethyl)acetamide
CID 16539608
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[5-(4-methylphenyl)-6H-1,3,4-thiadiazin-2-yl]acetamide
CID 1287281
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-hydroxycyclohexyl)acetamide
CID 43388703
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]-(3,4-dimethoxyphenyl)methyl]acetamide
CID 3547444

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[cyclopropyl-(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[cyclopropyl-(4-methylphenyl)methyl]acetamide (CID 46526058) is 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[cyclopropyl-(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[cyclopropyl-(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[cyclopropyl-(4-methylphenyl)methyl]acetamide is Cc1ccc(C(NC(=O)CSc2nc3ccccc3s2)C2CC2)cc1.
What is the InChIKey of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[cyclopropyl-(4-methylphenyl)methyl]acetamide?
The InChIKey is SWDMVNNITFQREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2OS2/c1-13-6-8-14(9-7-13)19(15-10-11-15)22-18(23)12-24-20-21-16-4-2-3-5-17(16)25-20/h2-9,15,19H,10-12H2,1H3,(H,22,23).
What are the key properties of 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[cyclopropyl-(4-methylphenyl)methyl]acetamide?
2-(1,3-benzothiazol-2-ylsulfanyl)-N-[cyclopropyl-(4-methylphenyl)methyl]acetamide has a molecular weight of 368.53 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[cyclopropyl-(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 46526058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).