4-[(2R)-butan-2-yl]oxy-N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)benzamide

C19H19ClN2O2S — CID 40625136

IUPAC4-[(2R)-butan-2-yl]oxy-N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)benzamide
SMILESCC[C@@H](C)Oc1ccc(C(=O)Nc2nc3cc(Cl)c(C)cc3s2)cc1
InChIInChI=1S/C19H19ClN2O2S/c1-4-12(3)24-14-7-5-13(6-8-14)18(23)22-19-21-16-10-15(20)11(2)9-17(16)25-19/h5-10,12H,4H2,1-3H3,(H,21,22,23)/t12-/m1/s1
InChIKeyCNWAYKXIMDVWQD-GFCCVEGCSA-N
MW374.89 g/mol
LogP5.69
Rot. Bonds5

About 4-[(2R)-butan-2-yl]oxy-N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)benzamide

4-[(2R)-butan-2-yl]oxy-N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)benzamide (PubChem CID 40625136) has the molecular formula C19H19ClN2O2S and a molecular weight of 374.89 g/mol. Its IUPAC name is 4-[(2R)-butan-2-yl]oxy-N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-[(2R)-butan-2-yl]oxy-N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)benzamide
PubChem CID40625136
Molecular FormulaC19H19ClN2O2S
Molecular Weight374.89 g/mol
Exact Mass374.09
IUPAC Name4-[(2R)-butan-2-yl]oxy-N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)benzamide
SMILESCC[C@@H](C)Oc1ccc(C(=O)Nc2nc3cc(Cl)c(C)cc3s2)cc1
InChIInChI=1S/C19H19ClN2O2S/c1-4-12(3)24-14-7-5-13(6-8-14)18(23)22-19-21-16-10-15(20)11(2)9-17(16)25-19/h5-10,12H,4H2,1-3H3,(H,21,22,23)/t12-/m1/s1
InChIKeyCNWAYKXIMDVWQD-GFCCVEGCSA-N
XLogP5.69
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.89
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-4-ethylbenzamide
CID 17100920
3-[(2R)-butan-2-yl]oxy-N-[(5-chloro-6-methyl-1,3-benzothiazol-2-yl)carbamothioyl]benzamide
CID 27235818
butyl 2-[[4-[(2R)-butan-2-yl]oxybenzoyl]amino]-1,3-benzothiazole-6-carboxylate
CID 40865078
N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-3-methylbenzamide
CID 960429
N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-pentoxybenzamide
CID 41047701
N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-2-methylsulfanylpyrimidine-5-carboxamide
CID 4308951
N-(5-chloro-6-methoxy-1,3-benzothiazol-2-yl)-4-methylbenzamide
CID 17100996
N-(5-fluoro-6-methyl-1,3-benzothiazol-2-yl)-4-methylbenzamide
CID 141404422
2,4-dichloro-N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 979290
N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide
CID 4502392
4-butan-2-yloxy-N-(2-chlorophenyl)benzamide
CID 17141187
N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)-2-naphthalen-2-yloxyacetamide
CID 4237233

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-butan-2-yl]oxy-N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 4-[(2R)-butan-2-yl]oxy-N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)benzamide (CID 40625136) is 4-[(2R)-butan-2-yl]oxy-N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 4-[(2R)-butan-2-yl]oxy-N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 4-[(2R)-butan-2-yl]oxy-N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)benzamide is CC[C@@H](C)Oc1ccc(C(=O)Nc2nc3cc(Cl)c(C)cc3s2)cc1.
What is the InChIKey of 4-[(2R)-butan-2-yl]oxy-N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is CNWAYKXIMDVWQD-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H19ClN2O2S/c1-4-12(3)24-14-7-5-13(6-8-14)18(23)22-19-21-16-10-15(20)11(2)9-17(16)25-19/h5-10,12H,4H2,1-3H3,(H,21,22,23)/t12-/m1/s1.
What are the key properties of 4-[(2R)-butan-2-yl]oxy-N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)benzamide?
4-[(2R)-butan-2-yl]oxy-N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 374.89 g/mol, XLogP of 5.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-butan-2-yl]oxy-N-(5-chloro-6-methyl-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 40625136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).