N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide

C17H20N4O4S2 — CID 56533546

IUPACN-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccn2)sc1C(=O)NC(C)C(=O)N1CCS(=O)(=O)CC1
InChIInChI=1S/C17H20N4O4S2/c1-11-14(26-16(20-11)13-5-3-4-6-18-13)15(22)19-12(2)17(23)21-7-9-27(24,25)10-8-21/h3-6,12H,7-10H2,1-2H3,(H,19,22)
InChIKeyUYNIXIHUWVTIHL-UHFFFAOYSA-N
MW408.51 g/mol
LogP0.89
Rot. Bonds4

About N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide

N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 56533546) has the molecular formula C17H20N4O4S2 and a molecular weight of 408.51 g/mol. Its IUPAC name is N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
PubChem CID56533546
Molecular FormulaC17H20N4O4S2
Molecular Weight408.51 g/mol
Exact Mass408.09
IUPAC NameN-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccn2)sc1C(=O)NC(C)C(=O)N1CCS(=O)(=O)CC1
InChIInChI=1S/C17H20N4O4S2/c1-11-14(26-16(20-11)13-5-3-4-6-18-13)15(22)19-12(2)17(23)21-7-9-27(24,25)10-8-21/h3-6,12H,7-10H2,1-2H3,(H,19,22)
InChIKeyUYNIXIHUWVTIHL-UHFFFAOYSA-N
XLogP0.89
TPSA109.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.51
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide with MolForge

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Related Compounds

2-Methyl-5-(pyridin-3-ylamino)-thiazole-4-carboxylic acid (2-methyl-pyridin-4-yl)-amide
CID 11638418
N-(1-amino-1,2-dioxoheptan-3-yl)-2-(2-phenyl-1,3-thiazol-4-yl)pyridine-3-carboxamide
CID 46870767
N,4-dimethyl-2-(2-pyridinyl)-1,3-thiazole-5-carboxamide
CID 3748085
N-(4-fluorophenyl)-4-methyl-2-(2-pyridinyl)-1,3-thiazole-5-carboxamide
CID 5221709
(S)-4-methyl-N-(5-phenyl-1-(phenylsulfonyl)pent-1-en-3-yl)-2-(pyridin-3-yl)thiazole-5-carboxamide
CID 46882171
(S)-4-methyl-N-(5-phenyl-1-(phenylsulfonyl)pent-1-en-3-yl)-2-(pyrazin-2-yl)thiazole-5-carboxamide
CID 46882172
N-[6-(2-aminoanilino)-6-oxohexyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 60207648
(2,4-Dimethyl-1,3-thiazol-5-yl)-[4-(pyridin-3-ylamino)piperidin-1-yl]methanone
CID 53607820
4-methyl-N-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 50913360
(2R)-4-(2-chloroacetyl)-N-(pyridin-2-ylmethyl)-1-thiophen-3-ylsulfonylpiperazine-2-carboxamide
CID 169423213
(2S)-4-(2-chloroacetyl)-N-(pyridin-2-ylmethyl)-1-thiophen-3-ylsulfonylpiperazine-2-carboxamide
CID 169423214
2-[(3R)-3-(propan-2-ylsulfonylamino)piperidin-1-yl]-5-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 76283035

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide (CID 56533546) is N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccccn2)sc1C(=O)NC(C)C(=O)N1CCS(=O)(=O)CC1.
What is the InChIKey of N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is UYNIXIHUWVTIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O4S2/c1-11-14(26-16(20-11)13-5-3-4-6-18-13)15(22)19-12(2)17(23)21-7-9-27(24,25)10-8-21/h3-6,12H,7-10H2,1-2H3,(H,19,22).
What are the key properties of N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 408.51 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 56533546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).