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

C18H20ClN3O4S2 — CID 56580806

IUPAC2-(4-chlorophenyl)-N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccc(Cl)cc2)sc1C(=O)NC(C)C(=O)N1CCS(=O)(=O)CC1
InChIInChI=1S/C18H20ClN3O4S2/c1-11-15(27-17(21-11)13-3-5-14(19)6-4-13)16(23)20-12(2)18(24)22-7-9-28(25,26)10-8-22/h3-6,12H,7-10H2,1-2H3,(H,20,23)
InChIKeyXKOYMTLDDUOVEJ-UHFFFAOYSA-N
MW441.96 g/mol
LogP2.15
Rot. Bonds4

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

2-(4-chlorophenyl)-N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 56580806) has the molecular formula C18H20ClN3O4S2 and a molecular weight of 441.96 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID56580806
Molecular FormulaC18H20ClN3O4S2
Molecular Weight441.96 g/mol
Exact Mass441.06
IUPAC Name2-(4-chlorophenyl)-N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccc(Cl)cc2)sc1C(=O)NC(C)C(=O)N1CCS(=O)(=O)CC1
InChIInChI=1S/C18H20ClN3O4S2/c1-11-15(27-17(21-11)13-3-5-14(19)6-4-13)16(23)20-12(2)18(24)22-7-9-28(25,26)10-8-22/h3-6,12H,7-10H2,1-2H3,(H,20,23)
InChIKeyXKOYMTLDDUOVEJ-UHFFFAOYSA-N
XLogP2.15
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.96
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
2-(4-chlorophenyl)-4-methyl-N-(1-thiophen-2-ylethyl)-1,3-thiazole-5-carboxamide
CID 24515088
2-[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 56919999
2-(4-chlorophenyl)-4-methyl-N-(4-pyrrolidin-1-ylbutyl)-1,3-thiazole-5-carboxamide
CID 39084197
(2R)-2-[[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]propanoic acid
CID 51663849
2-(4-chlorophenyl)-N-(1-cyclopropylpyrrolidin-3-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 47839047
N-[(2S)-1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-2,4-difluorobenzamide
CID 95149568
2-(4-chlorophenyl)-4-methyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119452782
N-[(1R)-1-(4-chlorophenyl)-2-hydroxyethyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 124735038
2-(4-chlorophenyl)-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 112797447
N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 56533165
3-[[2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]propanoic acid
CID 29134816

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide (CID 56580806) is 2-(4-chlorophenyl)-N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NC(C)C(=O)N1CCS(=O)(=O)CC1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is XKOYMTLDDUOVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O4S2/c1-11-15(27-17(21-11)13-3-5-14(19)6-4-13)16(23)20-12(2)18(24)22-7-9-28(25,26)10-8-22/h3-6,12H,7-10H2,1-2H3,(H,20,23).
What are the key properties of 2-(4-chlorophenyl)-N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide?
2-(4-chlorophenyl)-N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 441.96 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 56580806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).