N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(oxolan-2-ylmethyl)acetamide

C20H19Cl2N3O3S2 — CID 16563094

IUPACN-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(oxolan-2-ylmethyl)acetamide
SMILESCc1csc(=O)n1CC(=O)N(CC1CCCO1)c1nc(-c2ccc(Cl)cc2Cl)cs1
InChIInChI=1S/C20H19Cl2N3O3S2/c1-12-10-30-20(27)24(12)9-18(26)25(8-14-3-2-6-28-14)19-23-17(11-29-19)15-5-4-13(21)7-16(15)22/h4-5,7,10-11,14H,2-3,6,8-9H2,1H3
InChIKeyILSOQNRVZWSQSS-UHFFFAOYSA-N
MW484.43 g/mol
LogP4.86
Rot. Bonds6

About N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(oxolan-2-ylmethyl)acetamide

N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 16563094) has the molecular formula C20H19Cl2N3O3S2 and a molecular weight of 484.43 g/mol. Its IUPAC name is N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(oxolan-2-ylmethyl)acetamide
PubChem CID16563094
Molecular FormulaC20H19Cl2N3O3S2
Molecular Weight484.43 g/mol
Exact Mass483.02
IUPAC NameN-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(oxolan-2-ylmethyl)acetamide
SMILESCc1csc(=O)n1CC(=O)N(CC1CCCO1)c1nc(-c2ccc(Cl)cc2Cl)cs1
InChIInChI=1S/C20H19Cl2N3O3S2/c1-12-10-30-20(27)24(12)9-18(26)25(8-14-3-2-6-28-14)19-23-17(11-29-19)15-5-4-13(21)7-16(15)22/h4-5,7,10-11,14H,2-3,6,8-9H2,1H3
InChIKeyILSOQNRVZWSQSS-UHFFFAOYSA-N
XLogP4.86
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.43
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(oxolan-2-ylmethyl)acetamide (CID 16563094) is N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(oxolan-2-ylmethyl)acetamide is Cc1csc(=O)n1CC(=O)N(CC1CCCO1)c1nc(-c2ccc(Cl)cc2Cl)cs1.
What is the InChIKey of N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is ILSOQNRVZWSQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2N3O3S2/c1-12-10-30-20(27)24(12)9-18(26)25(8-14-3-2-6-28-14)19-23-17(11-29-19)15-5-4-13(21)7-16(15)22/h4-5,7,10-11,14H,2-3,6,8-9H2,1H3.
What are the key properties of N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(oxolan-2-ylmethyl)acetamide?
N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 484.43 g/mol, XLogP of 4.86, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 16563094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).