N-[5-[4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

C21H21N5O4S — CID 58374815

IUPACN-[5-[4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2cccc(-c3ccc(C(=O)N4CCS(=O)(=O)CC4)cc3)n2n1)C1CC1
InChIInChI=1S/C21H21N5O4S/c27-19(15-6-7-15)23-21-22-18-3-1-2-17(26(18)24-21)14-4-8-16(9-5-14)20(28)25-10-12-31(29,30)13-11-25/h1-5,8-9,15H,6-7,10-13H2,(H,23,24,27)
InChIKeyWZXWEHPCVGAYTR-UHFFFAOYSA-N
MW439.50 g/mol
LogP1.62
Rot. Bonds4

About N-[5-[4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

N-[5-[4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 58374815) has the molecular formula C21H21N5O4S and a molecular weight of 439.50 g/mol. Its IUPAC name is N-[5-[4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID58374815
Molecular FormulaC21H21N5O4S
Molecular Weight439.50 g/mol
Exact Mass439.13
IUPAC NameN-[5-[4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2cccc(-c3ccc(C(=O)N4CCS(=O)(=O)CC4)cc3)n2n1)C1CC1
InChIInChI=1S/C21H21N5O4S/c27-19(15-6-7-15)23-21-22-18-3-1-2-17(26(18)24-21)14-4-8-16(9-5-14)20(28)25-10-12-31(29,30)13-11-25/h1-5,8-9,15H,6-7,10-13H2,(H,23,24,27)
InChIKeyWZXWEHPCVGAYTR-UHFFFAOYSA-N
XLogP1.62
TPSA113.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.50
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (CID 58374815) is N-[5-[4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is O=C(Nc1nc2cccc(-c3ccc(C(=O)N4CCS(=O)(=O)CC4)cc3)n2n1)C1CC1.
What is the InChIKey of N-[5-[4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is WZXWEHPCVGAYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O4S/c27-19(15-6-7-15)23-21-22-18-3-1-2-17(26(18)24-21)14-4-8-16(9-5-14)20(28)25-10-12-31(29,30)13-11-25/h1-5,8-9,15H,6-7,10-13H2,(H,23,24,27).
What are the key properties of N-[5-[4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
N-[5-[4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 439.50 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 58374815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).