2-[2-[2-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-4-methyl-4,5-dihydro-1,3-thiazol-5-yl]acetamide

C20H26Cl2N4O3S2 — CID 143197749

IUPAC2-[2-[2-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-4-methyl-4,5-dihydro-1,3-thiazol-5-yl]acetamide
SMILESCC1N=C(SCC(=O)NC[C@H]2CN(Cc3ccc(Cl)c(Cl)c3)CCO2)SC1CC(N)=O
InChIInChI=1S/C20H26Cl2N4O3S2/c1-12-17(7-18(23)27)31-20(25-12)30-11-19(28)24-8-14-10-26(4-5-29-14)9-13-2-3-15(21)16(22)6-13/h2-3,6,12,14,17H,4-5,7-11H2,1H3,(H2,23,27)(H,24,28)/t12?,14-,17?/m0/s1
InChIKeyMAYCIXNSUGCSSH-TVIZTDCDSA-N
MW505.49 g/mol
LogP2.78
Rot. Bonds8

About 2-[2-[2-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-4-methyl-4,5-dihydro-1,3-thiazol-5-yl]acetamide

2-[2-[2-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-4-methyl-4,5-dihydro-1,3-thiazol-5-yl]acetamide (PubChem CID 143197749) has the molecular formula C20H26Cl2N4O3S2 and a molecular weight of 505.49 g/mol. Its IUPAC name is 2-[2-[2-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-4-methyl-4,5-dihydro-1,3-thiazol-5-yl]acetamide.

Molecular Properties

Compound Name2-[2-[2-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-4-methyl-4,5-dihydro-1,3-thiazol-5-yl]acetamide
PubChem CID143197749
Molecular FormulaC20H26Cl2N4O3S2
Molecular Weight505.49 g/mol
Exact Mass504.08
IUPAC Name2-[2-[2-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-4-methyl-4,5-dihydro-1,3-thiazol-5-yl]acetamide
SMILESCC1N=C(SCC(=O)NC[C@H]2CN(Cc3ccc(Cl)c(Cl)c3)CCO2)SC1CC(N)=O
InChIInChI=1S/C20H26Cl2N4O3S2/c1-12-17(7-18(23)27)31-20(25-12)30-11-19(28)24-8-14-10-26(4-5-29-14)9-13-2-3-15(21)16(22)6-13/h2-3,6,12,14,17H,4-5,7-11H2,1H3,(H2,23,27)(H,24,28)/t12?,14-,17?/m0/s1
InChIKeyMAYCIXNSUGCSSH-TVIZTDCDSA-N
XLogP2.78
TPSA97.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.49
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[2-[2-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-4-methyl-4,5-dihydro-1,3-thiazol-5-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-aminophenyl)sulfanyl-N-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]acetamide
CID 67168644
4-[2-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanylbenzamide
CID 59009090
N-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-2-(4,6-dimethoxypyrimidin-2-yl)sulfanylacetamide
CID 67169609
6-[2-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanylpyridazine-3-carboxamide
CID 59009186
[2-[[5-[2-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl] acetate
CID 141249761
N-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-2-thiophen-2-ylsulfanylacetamide
CID 67169478
N-(2-amino-2-oxoethyl)-4-[2-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanylbenzamide
CID 11555487
3-[2-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanylbenzamide
CID 59009157
N-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-2-(1-methyl-6-oxopyridazin-3-yl)sulfanylacetamide
CID 59009258
N-(2-amino-2-oxoethyl)-2-[2-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-1,3-thiazole-4-carboxamide
CID 57450128
2-[2-[2-[[(2S)-4-[(3,5-dichlorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-4,5-dihydro-1,3-thiazol-4-yl]acetamide
CID 143197724
2-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]-N-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]acetamide
CID 67170691

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-4-methyl-4,5-dihydro-1,3-thiazol-5-yl]acetamide?
The IUPAC name of 2-[2-[2-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-4-methyl-4,5-dihydro-1,3-thiazol-5-yl]acetamide (CID 143197749) is 2-[2-[2-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-4-methyl-4,5-dihydro-1,3-thiazol-5-yl]acetamide.
What is the SMILES notation for 2-[2-[2-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-4-methyl-4,5-dihydro-1,3-thiazol-5-yl]acetamide?
The canonical SMILES for 2-[2-[2-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-4-methyl-4,5-dihydro-1,3-thiazol-5-yl]acetamide is CC1N=C(SCC(=O)NC[C@H]2CN(Cc3ccc(Cl)c(Cl)c3)CCO2)SC1CC(N)=O.
What is the InChIKey of 2-[2-[2-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-4-methyl-4,5-dihydro-1,3-thiazol-5-yl]acetamide?
The InChIKey is MAYCIXNSUGCSSH-TVIZTDCDSA-N. The full InChI is InChI=1S/C20H26Cl2N4O3S2/c1-12-17(7-18(23)27)31-20(25-12)30-11-19(28)24-8-14-10-26(4-5-29-14)9-13-2-3-15(21)16(22)6-13/h2-3,6,12,14,17H,4-5,7-11H2,1H3,(H2,23,27)(H,24,28)/t12?,14-,17?/m0/s1.
What are the key properties of 2-[2-[2-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-4-methyl-4,5-dihydro-1,3-thiazol-5-yl]acetamide?
2-[2-[2-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-4-methyl-4,5-dihydro-1,3-thiazol-5-yl]acetamide has a molecular weight of 505.49 g/mol, XLogP of 2.78, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-4-methyl-4,5-dihydro-1,3-thiazol-5-yl]acetamide is sourced from PubChem (CID 143197749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).