N-(3-chloro-2-methylphenyl)-2-(3-methyl-5-oxo-1-phenylpyrazolo[5,4-b][1,4]thiazin-4-yl)acetamide

C21H19ClN4O2S — CID 20947727

IUPACN-(3-chloro-2-methylphenyl)-2-(3-methyl-5-oxo-1-phenylpyrazolo[5,4-b][1,4]thiazin-4-yl)acetamide
SMILESCc1nn(-c2ccccc2)c2c1N(CC(=O)Nc1cccc(Cl)c1C)C(=O)CS2
InChIInChI=1S/C21H19ClN4O2S/c1-13-16(22)9-6-10-17(13)23-18(27)11-25-19(28)12-29-21-20(25)14(2)24-26(21)15-7-4-3-5-8-15/h3-10H,11-12H2,1-2H3,(H,23,27)
InChIKeyBTFVUTXKEBRSRG-UHFFFAOYSA-N
MW426.93 g/mol
LogP4.22
Rot. Bonds4

About N-(3-chloro-2-methylphenyl)-2-(3-methyl-5-oxo-1-phenylpyrazolo[5,4-b][1,4]thiazin-4-yl)acetamide

N-(3-chloro-2-methylphenyl)-2-(3-methyl-5-oxo-1-phenylpyrazolo[5,4-b][1,4]thiazin-4-yl)acetamide (PubChem CID 20947727) has the molecular formula C21H19ClN4O2S and a molecular weight of 426.93 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-(3-methyl-5-oxo-1-phenylpyrazolo[5,4-b][1,4]thiazin-4-yl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-(3-methyl-5-oxo-1-phenylpyrazolo[5,4-b][1,4]thiazin-4-yl)acetamide
PubChem CID20947727
Molecular FormulaC21H19ClN4O2S
Molecular Weight426.93 g/mol
Exact Mass426.09
IUPAC NameN-(3-chloro-2-methylphenyl)-2-(3-methyl-5-oxo-1-phenylpyrazolo[5,4-b][1,4]thiazin-4-yl)acetamide
SMILESCc1nn(-c2ccccc2)c2c1N(CC(=O)Nc1cccc(Cl)c1C)C(=O)CS2
InChIInChI=1S/C21H19ClN4O2S/c1-13-16(22)9-6-10-17(13)23-18(27)11-25-19(28)12-29-21-20(25)14(2)24-26(21)15-7-4-3-5-8-15/h3-10H,11-12H2,1-2H3,(H,23,27)
InChIKeyBTFVUTXKEBRSRG-UHFFFAOYSA-N
XLogP4.22
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.93
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(azepan-1-yl)-2-oxoethyl]-3-methyl-1-phenylpyrazolo[5,4-b][1,4]thiazin-5-one
CID 20947771
4-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-N,N-diethyl-3-oxo-1,4-benzothiazine-6-carboxamide
CID 50776945
N-(3-chloro-2-methylphenyl)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide
CID 9403949
N-(3-chloro-2-methylphenyl)-2-[4-(2-methylpropyl)-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl]acetamide
CID 53136523
N-(3-chloro-2-methylphenyl)-2-(3-methylindazol-1-yl)acetamide
CID 22509830
N-(3-chloro-2-methylphenyl)-1,3-diphenylpyrazole-5-carboxamide
CID 7915082
N-(3-chloro-2-methylphenyl)-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)acetamide
CID 46497724
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CID 50745463
2-(4-chloro-1,3-dioxoisoindol-2-yl)-N-(3-chloro-2-methylphenyl)acetamide
CID 113201371
2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]acetic acid
CID 43466013
N-(3-chloro-2-methylphenyl)-2-(3,3-dimethyl-2-oxoindol-1-yl)acetamide
CID 53025402
N-(3-chloro-2-methylphenyl)-2-(2-oxo-4-phenylquinazolin-1-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-(3-methyl-5-oxo-1-phenylpyrazolo[5,4-b][1,4]thiazin-4-yl)acetamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-(3-methyl-5-oxo-1-phenylpyrazolo[5,4-b][1,4]thiazin-4-yl)acetamide (CID 20947727) is N-(3-chloro-2-methylphenyl)-2-(3-methyl-5-oxo-1-phenylpyrazolo[5,4-b][1,4]thiazin-4-yl)acetamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-(3-methyl-5-oxo-1-phenylpyrazolo[5,4-b][1,4]thiazin-4-yl)acetamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-(3-methyl-5-oxo-1-phenylpyrazolo[5,4-b][1,4]thiazin-4-yl)acetamide is Cc1nn(-c2ccccc2)c2c1N(CC(=O)Nc1cccc(Cl)c1C)C(=O)CS2.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-(3-methyl-5-oxo-1-phenylpyrazolo[5,4-b][1,4]thiazin-4-yl)acetamide?
The InChIKey is BTFVUTXKEBRSRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O2S/c1-13-16(22)9-6-10-17(13)23-18(27)11-25-19(28)12-29-21-20(25)14(2)24-26(21)15-7-4-3-5-8-15/h3-10H,11-12H2,1-2H3,(H,23,27).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-(3-methyl-5-oxo-1-phenylpyrazolo[5,4-b][1,4]thiazin-4-yl)acetamide?
N-(3-chloro-2-methylphenyl)-2-(3-methyl-5-oxo-1-phenylpyrazolo[5,4-b][1,4]thiazin-4-yl)acetamide has a molecular weight of 426.93 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-(3-methyl-5-oxo-1-phenylpyrazolo[5,4-b][1,4]thiazin-4-yl)acetamide is sourced from PubChem (CID 20947727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).