2-[2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N,N-bis(2-methoxyethyl)acetamide

C20H27N3O5S2 — CID 16898958

IUPAC2-[2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N,N-bis(2-methoxyethyl)acetamide
SMILESCOCCN(CCOC)C(=O)Cc1csc(SCC(=O)Nc2ccc(OC)cc2)n1
InChIInChI=1S/C20H27N3O5S2/c1-26-10-8-23(9-11-27-2)19(25)12-16-13-29-20(22-16)30-14-18(24)21-15-4-6-17(28-3)7-5-15/h4-7,13H,8-12,14H2,1-3H3,(H,21,24)
InChIKeyMAKZJFOAPLIGHT-UHFFFAOYSA-N
MW453.59 g/mol
LogP2.55
Rot. Bonds13

About 2-[2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N,N-bis(2-methoxyethyl)acetamide

2-[2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N,N-bis(2-methoxyethyl)acetamide (PubChem CID 16898958) has the molecular formula C20H27N3O5S2 and a molecular weight of 453.59 g/mol. Its IUPAC name is 2-[2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N,N-bis(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N,N-bis(2-methoxyethyl)acetamide
PubChem CID16898958
Molecular FormulaC20H27N3O5S2
Molecular Weight453.59 g/mol
Exact Mass453.14
IUPAC Name2-[2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N,N-bis(2-methoxyethyl)acetamide
SMILESCOCCN(CCOC)C(=O)Cc1csc(SCC(=O)Nc2ccc(OC)cc2)n1
InChIInChI=1S/C20H27N3O5S2/c1-26-10-8-23(9-11-27-2)19(25)12-16-13-29-20(22-16)30-14-18(24)21-15-4-6-17(28-3)7-5-15/h4-7,13H,8-12,14H2,1-3H3,(H,21,24)
InChIKeyMAKZJFOAPLIGHT-UHFFFAOYSA-N
XLogP2.55
TPSA89.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.59
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N,N-bis(2-methoxyethyl)acetamide with MolForge

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Related Compounds

N-(4-methoxyphenyl)-2-[2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide
CID 16899465
N-ethyl-2-[2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide
CID 16898975
2-[2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N,N-dipropylacetamide
CID 16899389
N-cyclopropyl-2-[2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide
CID 16899078
2-[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-(2-methoxyethyl)acetamide
CID 16899127
2-[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 16899152
2-[2-[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-(3-methoxyphenyl)acetamide
CID 16898885
2-[[4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]sulfanyl]-N-(4-methylphenyl)acetamide
CID 16899406
N-[2-(3-methoxyphenyl)ethyl]-2-[2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide
CID 16899507
N-(2-methoxy-4-methylphenyl)-2-[2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide
CID 16899510
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetamide
CID 16899068
2-[2-[(4-bromophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-(4-methoxyphenyl)acetamide
CID 16900109

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N,N-bis(2-methoxyethyl)acetamide?
The IUPAC name of 2-[2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N,N-bis(2-methoxyethyl)acetamide (CID 16898958) is 2-[2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N,N-bis(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N,N-bis(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N,N-bis(2-methoxyethyl)acetamide is COCCN(CCOC)C(=O)Cc1csc(SCC(=O)Nc2ccc(OC)cc2)n1.
What is the InChIKey of 2-[2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N,N-bis(2-methoxyethyl)acetamide?
The InChIKey is MAKZJFOAPLIGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O5S2/c1-26-10-8-23(9-11-27-2)19(25)12-16-13-29-20(22-16)30-14-18(24)21-15-4-6-17(28-3)7-5-15/h4-7,13H,8-12,14H2,1-3H3,(H,21,24).
What are the key properties of 2-[2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N,N-bis(2-methoxyethyl)acetamide?
2-[2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N,N-bis(2-methoxyethyl)acetamide has a molecular weight of 453.59 g/mol, XLogP of 2.55, 13 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N,N-bis(2-methoxyethyl)acetamide is sourced from PubChem (CID 16898958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).