N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide

C16H20N4O4S — CID 122560013

IUPACN-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
SMILESCOc1ccc(-c2[nH]ncc2CNC(=O)N2CCS(=O)(=O)CC2)cc1
InChIInChI=1S/C16H20N4O4S/c1-24-14-4-2-12(3-5-14)15-13(11-18-19-15)10-17-16(21)20-6-8-25(22,23)9-7-20/h2-5,11H,6-10H2,1H3,(H,17,21)(H,18,19)
InChIKeyQDTAHSCXNUYVKJ-UHFFFAOYSA-N
MW364.43 g/mol
LogP1.03
Rot. Bonds4

About N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide

N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide (PubChem CID 122560013) has the molecular formula C16H20N4O4S and a molecular weight of 364.43 g/mol. Its IUPAC name is N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide.

Molecular Properties

Compound NameN-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
PubChem CID122560013
Molecular FormulaC16H20N4O4S
Molecular Weight364.43 g/mol
Exact Mass364.12
IUPAC NameN-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
SMILESCOc1ccc(-c2[nH]ncc2CNC(=O)N2CCS(=O)(=O)CC2)cc1
InChIInChI=1S/C16H20N4O4S/c1-24-14-4-2-12(3-5-14)15-13(11-18-19-15)10-17-16(21)20-6-8-25(22,23)9-7-20/h2-5,11H,6-10H2,1H3,(H,17,21)(H,18,19)
InChIKeyQDTAHSCXNUYVKJ-UHFFFAOYSA-N
XLogP1.03
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide
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(6R)-4-acetyl-N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]-6-hydroxy-1,4-diazepane-1-carboxamide
CID 126450778
2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]acetamide
CID 91829160
2-(4-methoxyphenyl)-N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]ethanamine
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CID 70772191
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CID 94194229
2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 51080554
N-[3-(4-methoxyphenyl)-2-methylpropyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 122156338
N-[(2R)-3-(4-methoxyphenyl)-2-methylpropyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
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1-[3-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylamino]propyl]piperidin-4-ol
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Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide?
The IUPAC name of N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide (CID 122560013) is N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide.
What is the SMILES notation for N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide?
The canonical SMILES for N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide is COc1ccc(-c2[nH]ncc2CNC(=O)N2CCS(=O)(=O)CC2)cc1.
What is the InChIKey of N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide?
The InChIKey is QDTAHSCXNUYVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O4S/c1-24-14-4-2-12(3-5-14)15-13(11-18-19-15)10-17-16(21)20-6-8-25(22,23)9-7-20/h2-5,11H,6-10H2,1H3,(H,17,21)(H,18,19).
What are the key properties of N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide?
N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide has a molecular weight of 364.43 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide is sourced from PubChem (CID 122560013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).