2-[2-[2-[[(2S)-4-[(2,4-dichlorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-2,3-dihydro-1,3-thiazol-4-yl]acetamide

C19H24Cl2N4O3S2 — CID 89181574

IUPAC2-[2-[2-[[(2S)-4-[(2,4-dichlorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-2,3-dihydro-1,3-thiazol-4-yl]acetamide
SMILESNC(=O)CC1=CSC(SCC(=O)NC[C@H]2CN(Cc3ccc(Cl)cc3Cl)CCO2)N1
InChIInChI=1S/C19H24Cl2N4O3S2/c20-13-2-1-12(16(21)5-13)8-25-3-4-28-15(9-25)7-23-18(27)11-30-19-24-14(10-29-19)6-17(22)26/h1-2,5,10,15,19,24H,3-4,6-9,11H2,(H2,22,26)(H,23,27)/t15-,19?/m0/s1
InChIKeyXAMOFEVIIPXIPQ-FUKCDUGKSA-N
MW491.47 g/mol
LogP2.38
Rot. Bonds9

About 2-[2-[2-[[(2S)-4-[(2,4-dichlorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-2,3-dihydro-1,3-thiazol-4-yl]acetamide

2-[2-[2-[[(2S)-4-[(2,4-dichlorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-2,3-dihydro-1,3-thiazol-4-yl]acetamide (PubChem CID 89181574) has the molecular formula C19H24Cl2N4O3S2 and a molecular weight of 491.47 g/mol. Its IUPAC name is 2-[2-[2-[[(2S)-4-[(2,4-dichlorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-2,3-dihydro-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound Name2-[2-[2-[[(2S)-4-[(2,4-dichlorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-2,3-dihydro-1,3-thiazol-4-yl]acetamide
PubChem CID89181574
Molecular FormulaC19H24Cl2N4O3S2
Molecular Weight491.47 g/mol
Exact Mass490.07
IUPAC Name2-[2-[2-[[(2S)-4-[(2,4-dichlorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-2,3-dihydro-1,3-thiazol-4-yl]acetamide
SMILESNC(=O)CC1=CSC(SCC(=O)NC[C@H]2CN(Cc3ccc(Cl)cc3Cl)CCO2)N1
InChIInChI=1S/C19H24Cl2N4O3S2/c20-13-2-1-12(16(21)5-13)8-25-3-4-28-15(9-25)7-23-18(27)11-30-19-24-14(10-29-19)6-17(22)26/h1-2,5,10,15,19,24H,3-4,6-9,11H2,(H2,22,26)(H,23,27)/t15-,19?/m0/s1
InChIKeyXAMOFEVIIPXIPQ-FUKCDUGKSA-N
XLogP2.38
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.47
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[[(2S)-4-[(2,4-dichlorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-2,3-dihydro-1,3-thiazol-4-yl]acetamide?
The IUPAC name of 2-[2-[2-[[(2S)-4-[(2,4-dichlorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-2,3-dihydro-1,3-thiazol-4-yl]acetamide (CID 89181574) is 2-[2-[2-[[(2S)-4-[(2,4-dichlorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-2,3-dihydro-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for 2-[2-[2-[[(2S)-4-[(2,4-dichlorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-2,3-dihydro-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for 2-[2-[2-[[(2S)-4-[(2,4-dichlorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-2,3-dihydro-1,3-thiazol-4-yl]acetamide is NC(=O)CC1=CSC(SCC(=O)NC[C@H]2CN(Cc3ccc(Cl)cc3Cl)CCO2)N1.
What is the InChIKey of 2-[2-[2-[[(2S)-4-[(2,4-dichlorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-2,3-dihydro-1,3-thiazol-4-yl]acetamide?
The InChIKey is XAMOFEVIIPXIPQ-FUKCDUGKSA-N. The full InChI is InChI=1S/C19H24Cl2N4O3S2/c20-13-2-1-12(16(21)5-13)8-25-3-4-28-15(9-25)7-23-18(27)11-30-19-24-14(10-29-19)6-17(22)26/h1-2,5,10,15,19,24H,3-4,6-9,11H2,(H2,22,26)(H,23,27)/t15-,19?/m0/s1.
What are the key properties of 2-[2-[2-[[(2S)-4-[(2,4-dichlorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-2,3-dihydro-1,3-thiazol-4-yl]acetamide?
2-[2-[2-[[(2S)-4-[(2,4-dichlorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-2,3-dihydro-1,3-thiazol-4-yl]acetamide has a molecular weight of 491.47 g/mol, XLogP of 2.38, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[[(2S)-4-[(2,4-dichlorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-2,3-dihydro-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 89181574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).