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2-[2-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-N-ethyl-1,3-thiazole-4-carboxamide

C20H24Cl2N4O3S2 — CID 67170018

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-[2-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-N-ethyl-1,3-thiazole-4-carboxamide
SMILESCCNC(=O)c1csc(SCC(=O)NCC2CN(Cc3ccc(Cl)c(Cl)c3)CCO2)n1
InChIInChI=1S/C20H24Cl2N4O3S2/c1-2-23-19(28)17-11-30-20(25-17)31-12-18(27)24-8-14-10-26(5-6-29-14)9-13-3-4-15(21)16(22)7-13/h3-4,7,11,14H,2,5-6,8-10,12H2,1H3,(H,23,28)(H,24,27)
InChIKeyJLQWJEJKIFEBBP-UHFFFAOYSA-N
MW503.48 g/mol
LogP3.31
Rot. Bonds9

About 2-[2-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-N-ethyl-1,3-thiazole-4-carboxamide

2-[2-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-N-ethyl-1,3-thiazole-4-carboxamide (PubChem CID 67170018) has the molecular formula C20H24Cl2N4O3S2 and a molecular weight of 503.48 g/mol. Its IUPAC name is 2-[2-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-N-ethyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[2-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-N-ethyl-1,3-thiazole-4-carboxamide
PubChem CID67170018
Molecular FormulaC20H24Cl2N4O3S2
Molecular Weight503.48 g/mol
Exact Mass502.07
IUPAC Name2-[2-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-N-ethyl-1,3-thiazole-4-carboxamide
SMILESCCNC(=O)c1csc(SCC(=O)NCC2CN(Cc3ccc(Cl)c(Cl)c3)CCO2)n1
InChIInChI=1S/C20H24Cl2N4O3S2/c1-2-23-19(28)17-11-30-20(25-17)31-12-18(27)24-8-14-10-26(5-6-29-14)9-13-3-4-15(21)16(22)7-13/h3-4,7,11,14H,2,5-6,8-10,12H2,1H3,(H,23,28)(H,24,27)
InChIKeyJLQWJEJKIFEBBP-UHFFFAOYSA-N
XLogP3.31
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.48
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-N-ethyl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[2-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-N-ethyl-1,3-thiazole-4-carboxamide (CID 67170018) is 2-[2-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-N-ethyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[2-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-N-ethyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[2-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-N-ethyl-1,3-thiazole-4-carboxamide is CCNC(=O)c1csc(SCC(=O)NCC2CN(Cc3ccc(Cl)c(Cl)c3)CCO2)n1.
What is the InChIKey of 2-[2-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-N-ethyl-1,3-thiazole-4-carboxamide?
The InChIKey is JLQWJEJKIFEBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24Cl2N4O3S2/c1-2-23-19(28)17-11-30-20(25-17)31-12-18(27)24-8-14-10-26(5-6-29-14)9-13-3-4-15(21)16(22)7-13/h3-4,7,11,14H,2,5-6,8-10,12H2,1H3,(H,23,28)(H,24,27).
What are the key properties of 2-[2-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-N-ethyl-1,3-thiazole-4-carboxamide?
2-[2-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-N-ethyl-1,3-thiazole-4-carboxamide has a molecular weight of 503.48 g/mol, XLogP of 3.31, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-N-ethyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 67170018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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