2-(2-methoxyanilino)-5,6-dihydro-4H-1,3-benzothiazol-7-one

C14H14N2O2S — CID 166222120

IUPAC2-(2-methoxyanilino)-5,6-dihydro-4H-1,3-benzothiazol-7-one
SMILESCOc1ccccc1Nc1nc2c(s1)C(=O)CCC2
InChIInChI=1S/C14H14N2O2S/c1-18-12-8-3-2-5-9(12)15-14-16-10-6-4-7-11(17)13(10)19-14/h2-3,5,8H,4,6-7H2,1H3,(H,15,16)
InChIKeyFWKWDAVXXAUFRQ-UHFFFAOYSA-N
MW274.35 g/mol
LogP3.41
Rot. Bonds3

About 2-(2-methoxyanilino)-5,6-dihydro-4H-1,3-benzothiazol-7-one

2-(2-methoxyanilino)-5,6-dihydro-4H-1,3-benzothiazol-7-one (PubChem CID 166222120) has the molecular formula C14H14N2O2S and a molecular weight of 274.35 g/mol. Its IUPAC name is 2-(2-methoxyanilino)-5,6-dihydro-4H-1,3-benzothiazol-7-one.

Molecular Properties

Compound Name2-(2-methoxyanilino)-5,6-dihydro-4H-1,3-benzothiazol-7-one
PubChem CID166222120
Molecular FormulaC14H14N2O2S
Molecular Weight274.35 g/mol
Exact Mass274.08
IUPAC Name2-(2-methoxyanilino)-5,6-dihydro-4H-1,3-benzothiazol-7-one
SMILESCOc1ccccc1Nc1nc2c(s1)C(=O)CCC2
InChIInChI=1S/C14H14N2O2S/c1-18-12-8-3-2-5-9(12)15-14-16-10-6-4-7-11(17)13(10)19-14/h2-3,5,8H,4,6-7H2,1H3,(H,15,16)
InChIKeyFWKWDAVXXAUFRQ-UHFFFAOYSA-N
XLogP3.41
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,3-dimethoxyphenyl)-3-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)urea
CID 90625551
2-(2-methoxyanilino)-4-propyl-1,3-thiazole-5-carboxylic acid
CID 82065234
2-(2-phenylpropan-2-yl)-5,6-dihydro-4H-1,3-benzothiazol-7-one
CID 55182286
N-(2-methoxyphenyl)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 720949
(2S)-2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]cyclohexan-1-one
CID 9220846
2-N-(2-methoxyphenyl)-1,3-thiazole-2,5-diamine
CID 102767348
(2R)-2-(2-methoxyphenoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
CID 42278896
N-(2-methoxyphenyl)-4-phenyl-5-propyl-1,3-thiazol-2-amine
CID 672840
2-[(2-methoxyphenyl)methyl]-6,7-dihydro-5H-1,3-benzothiazol-4-one
CID 64975723
2-methoxy-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 5107128
N-[(2,6-difluorophenyl)methyl]-11-methoxy-3-thia-5-azatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaen-4-amine
CID 59737977
N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine
CID 59129098

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyanilino)-5,6-dihydro-4H-1,3-benzothiazol-7-one?
The IUPAC name of 2-(2-methoxyanilino)-5,6-dihydro-4H-1,3-benzothiazol-7-one (CID 166222120) is 2-(2-methoxyanilino)-5,6-dihydro-4H-1,3-benzothiazol-7-one.
What is the SMILES notation for 2-(2-methoxyanilino)-5,6-dihydro-4H-1,3-benzothiazol-7-one?
The canonical SMILES for 2-(2-methoxyanilino)-5,6-dihydro-4H-1,3-benzothiazol-7-one is COc1ccccc1Nc1nc2c(s1)C(=O)CCC2.
What is the InChIKey of 2-(2-methoxyanilino)-5,6-dihydro-4H-1,3-benzothiazol-7-one?
The InChIKey is FWKWDAVXXAUFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S/c1-18-12-8-3-2-5-9(12)15-14-16-10-6-4-7-11(17)13(10)19-14/h2-3,5,8H,4,6-7H2,1H3,(H,15,16).
What are the key properties of 2-(2-methoxyanilino)-5,6-dihydro-4H-1,3-benzothiazol-7-one?
2-(2-methoxyanilino)-5,6-dihydro-4H-1,3-benzothiazol-7-one has a molecular weight of 274.35 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyanilino)-5,6-dihydro-4H-1,3-benzothiazol-7-one is sourced from PubChem (CID 166222120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).