N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide

C16H17N5O2S — CID 46965435

IUPACN-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide
SMILESCC(C)c1cc(C(=O)Nc2nc3c(s2)CCc2c-3cnn2C)on1
InChIInChI=1S/C16H17N5O2S/c1-8(2)10-6-12(23-20-10)15(22)19-16-18-14-9-7-17-21(3)11(9)4-5-13(14)24-16/h6-8H,4-5H2,1-3H3,(H,18,19,22)
InChIKeyCCYZLXZIYYQJSK-UHFFFAOYSA-N
MW343.41 g/mol
LogP3.01
Rot. Bonds3

About N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide

N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide (PubChem CID 46965435) has the molecular formula C16H17N5O2S and a molecular weight of 343.41 g/mol. Its IUPAC name is N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide
PubChem CID46965435
Molecular FormulaC16H17N5O2S
Molecular Weight343.41 g/mol
Exact Mass343.11
IUPAC NameN-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide
SMILESCC(C)c1cc(C(=O)Nc2nc3c(s2)CCc2c-3cnn2C)on1
InChIInChI=1S/C16H17N5O2S/c1-8(2)10-6-12(23-20-10)15(22)19-16-18-14-9-7-17-21(3)11(9)4-5-13(14)24-16/h6-8H,4-5H2,1-3H3,(H,18,19,22)
InChIKeyCCYZLXZIYYQJSK-UHFFFAOYSA-N
XLogP3.01
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)-2-(4-methylphenyl)propanamide
CID 51585052
(2S)-2-(3,5-dimethylphenoxy)-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)propanamide
CID 51502980
(2R)-2-(3,5-dimethylphenoxy)-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)propanamide
CID 51502979
N,3-dimethyl-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)-1,2-oxazole-5-carboxamide
CID 46959984
(2S)-2-(2,4-dimethylphenoxy)-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)propanamide
CID 51584978
2-(2-methoxyphenyl)-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)acetamide
CID 16677397
(3S)-1-[(2S)-1-methoxypropan-2-yl]-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 51499345
3-(4-ethylphenyl)sulfonyl-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)propanamide
CID 92589153
(3S)-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)-5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide
CID 51502969
N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)-5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide
CID 46965441
N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 176585430
N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 176585441

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide (CID 46965435) is N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide is CC(C)c1cc(C(=O)Nc2nc3c(s2)CCc2c-3cnn2C)on1.
What is the InChIKey of N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide?
The InChIKey is CCYZLXZIYYQJSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2S/c1-8(2)10-6-12(23-20-10)15(22)19-16-18-14-9-7-17-21(3)11(9)4-5-13(14)24-16/h6-8H,4-5H2,1-3H3,(H,18,19,22).
What are the key properties of N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide?
N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide has a molecular weight of 343.41 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 46965435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).