1-(3-methyl-1-phenyl-5,6-dihydropyrazolo[5,4-b][1,4]thiazin-4-yl)-4-morpholin-4-ylbutane-1,4-dione

C20H24N4O3S — CID 45106895

IUPAC1-(3-methyl-1-phenyl-5,6-dihydropyrazolo[5,4-b][1,4]thiazin-4-yl)-4-morpholin-4-ylbutane-1,4-dione
SMILESCc1nn(-c2ccccc2)c2c1N(C(=O)CCC(=O)N1CCOCC1)CCS2
InChIInChI=1S/C20H24N4O3S/c1-15-19-20(24(21-15)16-5-3-2-4-6-16)28-14-11-23(19)18(26)8-7-17(25)22-9-12-27-13-10-22/h2-6H,7-14H2,1H3
InChIKeyCHMAARKFMOLUAH-UHFFFAOYSA-N
MW400.50 g/mol
LogP2.26
Rot. Bonds4

About 1-(3-methyl-1-phenyl-5,6-dihydropyrazolo[5,4-b][1,4]thiazin-4-yl)-4-morpholin-4-ylbutane-1,4-dione

1-(3-methyl-1-phenyl-5,6-dihydropyrazolo[5,4-b][1,4]thiazin-4-yl)-4-morpholin-4-ylbutane-1,4-dione (PubChem CID 45106895) has the molecular formula C20H24N4O3S and a molecular weight of 400.50 g/mol. Its IUPAC name is 1-(3-methyl-1-phenyl-5,6-dihydropyrazolo[5,4-b][1,4]thiazin-4-yl)-4-morpholin-4-ylbutane-1,4-dione.

Molecular Properties

Compound Name1-(3-methyl-1-phenyl-5,6-dihydropyrazolo[5,4-b][1,4]thiazin-4-yl)-4-morpholin-4-ylbutane-1,4-dione
PubChem CID45106895
Molecular FormulaC20H24N4O3S
Molecular Weight400.50 g/mol
Exact Mass400.16
IUPAC Name1-(3-methyl-1-phenyl-5,6-dihydropyrazolo[5,4-b][1,4]thiazin-4-yl)-4-morpholin-4-ylbutane-1,4-dione
SMILESCc1nn(-c2ccccc2)c2c1N(C(=O)CCC(=O)N1CCOCC1)CCS2
InChIInChI=1S/C20H24N4O3S/c1-15-19-20(24(21-15)16-5-3-2-4-6-16)28-14-11-23(19)18(26)8-7-17(25)22-9-12-27-13-10-22/h2-6H,7-14H2,1H3
InChIKeyCHMAARKFMOLUAH-UHFFFAOYSA-N
XLogP2.26
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-ethoxypropyl)-4-(3-methyl-1-phenyl-5,6-dihydropyrazolo[5,4-b][1,4]thiazin-4-yl)-4-oxobutanamide
CID 20956811
4-[2-(azepan-1-yl)-2-oxoethyl]-3-methyl-1-phenylpyrazolo[5,4-b][1,4]thiazin-5-one
CID 20947771
(2-morpholin-4-yl-2-oxoethyl) 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetate
CID 8628593
3-[5-(2-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]-1-morpholin-4-ylpropan-1-one
CID 46043113
1-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]butan-1-one
CID 90506606
1-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]pentan-1-one
CID 90506609
(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-morpholin-4-ylmethanone
CID 617776
3,4-dimethyl-6-(2-morpholin-4-yl-2-oxoethyl)-2-phenylpyrazolo[3,4-d]pyridazin-7-one
CID 20919653
(2-morpholin-4-yl-2-oxoethyl) 1,5-diphenyl-1,2,4-triazole-3-carboxylate
CID 2103687
(2-morpholin-4-yl-2-oxoethyl) (E)-3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)prop-2-enoate
CID 7583296
1-morpholin-4-yl-3-phenylpropan-1-one
CID 532825
1-[4-(5-methyl-1-phenylpyrazole-3-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethanone
CID 55759044

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-1-phenyl-5,6-dihydropyrazolo[5,4-b][1,4]thiazin-4-yl)-4-morpholin-4-ylbutane-1,4-dione?
The IUPAC name of 1-(3-methyl-1-phenyl-5,6-dihydropyrazolo[5,4-b][1,4]thiazin-4-yl)-4-morpholin-4-ylbutane-1,4-dione (CID 45106895) is 1-(3-methyl-1-phenyl-5,6-dihydropyrazolo[5,4-b][1,4]thiazin-4-yl)-4-morpholin-4-ylbutane-1,4-dione.
What is the SMILES notation for 1-(3-methyl-1-phenyl-5,6-dihydropyrazolo[5,4-b][1,4]thiazin-4-yl)-4-morpholin-4-ylbutane-1,4-dione?
The canonical SMILES for 1-(3-methyl-1-phenyl-5,6-dihydropyrazolo[5,4-b][1,4]thiazin-4-yl)-4-morpholin-4-ylbutane-1,4-dione is Cc1nn(-c2ccccc2)c2c1N(C(=O)CCC(=O)N1CCOCC1)CCS2.
What is the InChIKey of 1-(3-methyl-1-phenyl-5,6-dihydropyrazolo[5,4-b][1,4]thiazin-4-yl)-4-morpholin-4-ylbutane-1,4-dione?
The InChIKey is CHMAARKFMOLUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3S/c1-15-19-20(24(21-15)16-5-3-2-4-6-16)28-14-11-23(19)18(26)8-7-17(25)22-9-12-27-13-10-22/h2-6H,7-14H2,1H3.
What are the key properties of 1-(3-methyl-1-phenyl-5,6-dihydropyrazolo[5,4-b][1,4]thiazin-4-yl)-4-morpholin-4-ylbutane-1,4-dione?
1-(3-methyl-1-phenyl-5,6-dihydropyrazolo[5,4-b][1,4]thiazin-4-yl)-4-morpholin-4-ylbutane-1,4-dione has a molecular weight of 400.50 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-1-phenyl-5,6-dihydropyrazolo[5,4-b][1,4]thiazin-4-yl)-4-morpholin-4-ylbutane-1,4-dione is sourced from PubChem (CID 45106895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).