2-(2,6-dichlorophenyl)-N-(1,1-dioxothiolan-3-yl)-4-methyl-1,3-thiazole-5-carboxamide

C15H14Cl2N2O3S2 — CID 42650194

IUPAC2-(2,6-dichlorophenyl)-N-(1,1-dioxothiolan-3-yl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2c(Cl)cccc2Cl)sc1C(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C15H14Cl2N2O3S2/c1-8-13(14(20)19-9-5-6-24(21,22)7-9)23-15(18-8)12-10(16)3-2-4-11(12)17/h2-4,9H,5-7H2,1H3,(H,19,20)
InChIKeyBCCRHXGQMLZQOX-UHFFFAOYSA-N
MW405.33 g/mol
LogP3.34
Rot. Bonds3

About 2-(2,6-dichlorophenyl)-N-(1,1-dioxothiolan-3-yl)-4-methyl-1,3-thiazole-5-carboxamide

2-(2,6-dichlorophenyl)-N-(1,1-dioxothiolan-3-yl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 42650194) has the molecular formula C15H14Cl2N2O3S2 and a molecular weight of 405.33 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-N-(1,1-dioxothiolan-3-yl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-N-(1,1-dioxothiolan-3-yl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID42650194
Molecular FormulaC15H14Cl2N2O3S2
Molecular Weight405.33 g/mol
Exact Mass403.98
IUPAC Name2-(2,6-dichlorophenyl)-N-(1,1-dioxothiolan-3-yl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2c(Cl)cccc2Cl)sc1C(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C15H14Cl2N2O3S2/c1-8-13(14(20)19-9-5-6-24(21,22)7-9)23-15(18-8)12-10(16)3-2-4-11(12)17/h2-4,9H,5-7H2,1H3,(H,19,20)
InChIKeyBCCRHXGQMLZQOX-UHFFFAOYSA-N
XLogP3.34
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.33
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-chlorophenyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 42580894
N-[(3R)-1,1-dioxothiolan-3-yl]-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 41075355
2-(3,4-dimethoxyphenyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 42534442
N-(1,1-dioxothiolan-3-yl)-4-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carboxamide
CID 42650220
N-[(3R)-1,1-dioxothiolan-3-yl]-4-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide
CID 42570988
N-(1,1-dioxothiolan-3-yl)-4-methyl-2-(2-phenylethyl)-1,3-thiazole-5-carboxamide
CID 110389733
3-(2-chloro-6-fluorophenyl)-N-(1,1-dioxothiolan-3-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 3508122
3-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]-1-benzothiophene-2-carboxamide
CID 7047579
2-(2,6-dichlorophenyl)-N-(2-methoxyethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 52899426
N-(1,1-dioxothiolan-3-yl)-4-methyl-2-(piperidin-1-ylmethyl)-1,3-thiazole-5-carboxamide
CID 110387362
[(2R)-1-[[(3R)-1,1-dioxothiolan-3-yl]amino]-1-oxopropan-2-yl] 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 8959886
N-[(3S)-1,1-dioxothiolan-3-yl]-3-methylthiophene-2-carboxamide
CID 30789391

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-N-(1,1-dioxothiolan-3-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(2,6-dichlorophenyl)-N-(1,1-dioxothiolan-3-yl)-4-methyl-1,3-thiazole-5-carboxamide (CID 42650194) is 2-(2,6-dichlorophenyl)-N-(1,1-dioxothiolan-3-yl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-N-(1,1-dioxothiolan-3-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(2,6-dichlorophenyl)-N-(1,1-dioxothiolan-3-yl)-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(-c2c(Cl)cccc2Cl)sc1C(=O)NC1CCS(=O)(=O)C1.
What is the InChIKey of 2-(2,6-dichlorophenyl)-N-(1,1-dioxothiolan-3-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is BCCRHXGQMLZQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O3S2/c1-8-13(14(20)19-9-5-6-24(21,22)7-9)23-15(18-8)12-10(16)3-2-4-11(12)17/h2-4,9H,5-7H2,1H3,(H,19,20).
What are the key properties of 2-(2,6-dichlorophenyl)-N-(1,1-dioxothiolan-3-yl)-4-methyl-1,3-thiazole-5-carboxamide?
2-(2,6-dichlorophenyl)-N-(1,1-dioxothiolan-3-yl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 405.33 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-N-(1,1-dioxothiolan-3-yl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 42650194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).