2-[4-[2-[(2-chlorophenoxy)methyl]-1,3-thiazol-4-yl]pyrimidin-2-yl]sulfanyl-N-(3-chlorophenyl)acetamide

C22H16Cl2N4O2S2 — CID 2744871

IUPAC2-[4-[2-[(2-chlorophenoxy)methyl]-1,3-thiazol-4-yl]pyrimidin-2-yl]sulfanyl-N-(3-chlorophenyl)acetamide
SMILESO=C(CSc1nccc(-c2csc(COc3ccccc3Cl)n2)n1)Nc1cccc(Cl)c1
InChIInChI=1S/C22H16Cl2N4O2S2/c23-14-4-3-5-15(10-14)26-20(29)13-32-22-25-9-8-17(28-22)18-12-31-21(27-18)11-30-19-7-2-1-6-16(19)24/h1-10,12H,11,13H2,(H,26,29)
InChIKeySWXNZRSUKORHLL-UHFFFAOYSA-N
MW503.44 g/mol
LogP6.22
Rot. Bonds8

About 2-[4-[2-[(2-chlorophenoxy)methyl]-1,3-thiazol-4-yl]pyrimidin-2-yl]sulfanyl-N-(3-chlorophenyl)acetamide

2-[4-[2-[(2-chlorophenoxy)methyl]-1,3-thiazol-4-yl]pyrimidin-2-yl]sulfanyl-N-(3-chlorophenyl)acetamide (PubChem CID 2744871) has the molecular formula C22H16Cl2N4O2S2 and a molecular weight of 503.44 g/mol. Its IUPAC name is 2-[4-[2-[(2-chlorophenoxy)methyl]-1,3-thiazol-4-yl]pyrimidin-2-yl]sulfanyl-N-(3-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-[2-[(2-chlorophenoxy)methyl]-1,3-thiazol-4-yl]pyrimidin-2-yl]sulfanyl-N-(3-chlorophenyl)acetamide
PubChem CID2744871
Molecular FormulaC22H16Cl2N4O2S2
Molecular Weight503.44 g/mol
Exact Mass502.01
IUPAC Name2-[4-[2-[(2-chlorophenoxy)methyl]-1,3-thiazol-4-yl]pyrimidin-2-yl]sulfanyl-N-(3-chlorophenyl)acetamide
SMILESO=C(CSc1nccc(-c2csc(COc3ccccc3Cl)n2)n1)Nc1cccc(Cl)c1
InChIInChI=1S/C22H16Cl2N4O2S2/c23-14-4-3-5-15(10-14)26-20(29)13-32-22-25-9-8-17(28-22)18-12-31-21(27-18)11-30-19-7-2-1-6-16(19)24/h1-10,12H,11,13H2,(H,26,29)
InChIKeySWXNZRSUKORHLL-UHFFFAOYSA-N
XLogP6.22
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.44
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-chlorophenoxy)-N-(3-chlorophenyl)acetamide
CID 707250
2-[[5-[(2-chlorophenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-chlorophenyl)acetamide
CID 1305549
2-[[5-[(2-chlorophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-chlorophenyl)acetamide
CID 3927438
N-(3-chlorophenyl)-2-[[5-(naphthalen-1-yloxymethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 1136006
N-(3-chlorophenyl)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 969622
N-(3-chlorophenyl)-2-[4-methyl-6-(4-methylphenyl)pyrimidin-2-yl]sulfanylacetamide
CID 126390491
N-(4-propan-2-ylphenyl)-2-(4-thiophen-2-ylpyrimidin-2-yl)sulfanylacetamide
CID 2811874
N-(3-chlorophenyl)-2-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]sulfanylacetamide
CID 22585503
N-(3-fluorophenyl)-2-[[5-[(2-methylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 4803483
N-(3-chlorophenyl)-2-naphthalen-1-ylsulfanylacetamide
CID 39922768
N-(3-chlorophenyl)-2-naphthalen-1-yloxyacetamide
CID 954547
2-[[5-[(2-chlorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide
CID 29463486

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[(2-chlorophenoxy)methyl]-1,3-thiazol-4-yl]pyrimidin-2-yl]sulfanyl-N-(3-chlorophenyl)acetamide?
The IUPAC name of 2-[4-[2-[(2-chlorophenoxy)methyl]-1,3-thiazol-4-yl]pyrimidin-2-yl]sulfanyl-N-(3-chlorophenyl)acetamide (CID 2744871) is 2-[4-[2-[(2-chlorophenoxy)methyl]-1,3-thiazol-4-yl]pyrimidin-2-yl]sulfanyl-N-(3-chlorophenyl)acetamide.
What is the SMILES notation for 2-[4-[2-[(2-chlorophenoxy)methyl]-1,3-thiazol-4-yl]pyrimidin-2-yl]sulfanyl-N-(3-chlorophenyl)acetamide?
The canonical SMILES for 2-[4-[2-[(2-chlorophenoxy)methyl]-1,3-thiazol-4-yl]pyrimidin-2-yl]sulfanyl-N-(3-chlorophenyl)acetamide is O=C(CSc1nccc(-c2csc(COc3ccccc3Cl)n2)n1)Nc1cccc(Cl)c1.
What is the InChIKey of 2-[4-[2-[(2-chlorophenoxy)methyl]-1,3-thiazol-4-yl]pyrimidin-2-yl]sulfanyl-N-(3-chlorophenyl)acetamide?
The InChIKey is SWXNZRSUKORHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Cl2N4O2S2/c23-14-4-3-5-15(10-14)26-20(29)13-32-22-25-9-8-17(28-22)18-12-31-21(27-18)11-30-19-7-2-1-6-16(19)24/h1-10,12H,11,13H2,(H,26,29).
What are the key properties of 2-[4-[2-[(2-chlorophenoxy)methyl]-1,3-thiazol-4-yl]pyrimidin-2-yl]sulfanyl-N-(3-chlorophenyl)acetamide?
2-[4-[2-[(2-chlorophenoxy)methyl]-1,3-thiazol-4-yl]pyrimidin-2-yl]sulfanyl-N-(3-chlorophenyl)acetamide has a molecular weight of 503.44 g/mol, XLogP of 6.22, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[(2-chlorophenoxy)methyl]-1,3-thiazol-4-yl]pyrimidin-2-yl]sulfanyl-N-(3-chlorophenyl)acetamide is sourced from PubChem (CID 2744871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).