N-[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]-1-methylsulfonylpiperidine-4-carboxamide

C19H22N4O5S2 — CID 21009015

IUPACN-[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCN1C(=O)COc2ccc(-c3csc(NC(=O)C4CCN(S(C)(=O)=O)CC4)n3)cc21
InChIInChI=1S/C19H22N4O5S2/c1-22-15-9-13(3-4-16(15)28-10-17(22)24)14-11-29-19(20-14)21-18(25)12-5-7-23(8-6-12)30(2,26)27/h3-4,9,11-12H,5-8,10H2,1-2H3,(H,20,21,25)
InChIKeyZVFFWWPLEAHHAB-UHFFFAOYSA-N
MW450.54 g/mol
LogP1.78
Rot. Bonds4

About N-[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]-1-methylsulfonylpiperidine-4-carboxamide

N-[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 21009015) has the molecular formula C19H22N4O5S2 and a molecular weight of 450.54 g/mol. Its IUPAC name is N-[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID21009015
Molecular FormulaC19H22N4O5S2
Molecular Weight450.54 g/mol
Exact Mass450.10
IUPAC NameN-[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCN1C(=O)COc2ccc(-c3csc(NC(=O)C4CCN(S(C)(=O)=O)CC4)n3)cc21
InChIInChI=1S/C19H22N4O5S2/c1-22-15-9-13(3-4-16(15)28-10-17(22)24)14-11-29-19(20-14)21-18(25)12-5-7-23(8-6-12)30(2,26)27/h3-4,9,11-12H,5-8,10H2,1-2H3,(H,20,21,25)
InChIKeyZVFFWWPLEAHHAB-UHFFFAOYSA-N
XLogP1.78
TPSA108.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]propanamide
CID 16876643
N-[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]butanamide
CID 20995344
4-chloro-N-[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]benzamide
CID 22694411
N-[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 22694414
N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 16831738
1-methylsulfonyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 43040962
N-[4-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 1458463
N-[4-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]propanamide
CID 20995409
(2R)-N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 27376218
(2S)-N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 27376221
1-(benzenesulfonyl)-N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 46680321
N-[4-(3-oxo-4-propyl-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]methanesulfonamide
CID 21009099

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]-1-methylsulfonylpiperidine-4-carboxamide (CID 21009015) is N-[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]-1-methylsulfonylpiperidine-4-carboxamide is CN1C(=O)COc2ccc(-c3csc(NC(=O)C4CCN(S(C)(=O)=O)CC4)n3)cc21.
What is the InChIKey of N-[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is ZVFFWWPLEAHHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O5S2/c1-22-15-9-13(3-4-16(15)28-10-17(22)24)14-11-29-19(20-14)21-18(25)12-5-7-23(8-6-12)30(2,26)27/h3-4,9,11-12H,5-8,10H2,1-2H3,(H,20,21,25).
What are the key properties of N-[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]-1-methylsulfonylpiperidine-4-carboxamide?
N-[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]-1-methylsulfonylpiperidine-4-carboxamide has a molecular weight of 450.54 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]-1-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 21009015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).