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

C19H23Cl2N3O4S2 — CID 89181655

IUPAC2-[2-[2-[[(2S)-4-[(2,3-dichlorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-2,3-dihydro-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)CC1=CSC(SCC(=O)NC[C@H]2CN(Cc3cccc(Cl)c3Cl)CCO2)N1
InChIInChI=1S/C19H23Cl2N3O4S2/c20-15-3-1-2-12(18(15)21)8-24-4-5-28-14(9-24)7-22-16(25)11-30-19-23-13(10-29-19)6-17(26)27/h1-3,10,14,19,23H,4-9,11H2,(H,22,25)(H,26,27)/t14-,19?/m0/s1
InChIKeyUKBUVFFTWYYDKP-KTQQKIMGSA-N
MW492.45 g/mol
LogP2.98
Rot. Bonds9

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

2-[2-[2-[[(2S)-4-[(2,3-dichlorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-2,3-dihydro-1,3-thiazol-4-yl]acetic acid (PubChem CID 89181655) has the molecular formula C19H23Cl2N3O4S2 and a molecular weight of 492.45 g/mol. Its IUPAC name is 2-[2-[2-[[(2S)-4-[(2,3-dichlorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-2,3-dihydro-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[2-[[(2S)-4-[(2,3-dichlorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-2,3-dihydro-1,3-thiazol-4-yl]acetic acid
PubChem CID89181655
Molecular FormulaC19H23Cl2N3O4S2
Molecular Weight492.45 g/mol
Exact Mass491.05
IUPAC Name2-[2-[2-[[(2S)-4-[(2,3-dichlorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-2,3-dihydro-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)CC1=CSC(SCC(=O)NC[C@H]2CN(Cc3cccc(Cl)c3Cl)CCO2)N1
InChIInChI=1S/C19H23Cl2N3O4S2/c20-15-3-1-2-12(18(15)21)8-24-4-5-28-14(9-24)7-22-16(25)11-30-19-23-13(10-29-19)6-17(26)27/h1-3,10,14,19,23H,4-9,11H2,(H,22,25)(H,26,27)/t14-,19?/m0/s1
InChIKeyUKBUVFFTWYYDKP-KTQQKIMGSA-N
XLogP2.98
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.45
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

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Related Compounds

2-[2-[2-[[(2S)-4-[(3,5-dichlorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-2,3-dihydro-1,3-thiazol-4-yl]acetic acid
CID 89181615
2-[2-[2-[[(2S)-4-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-2,3-dihydro-1,3-thiazol-4-yl]acetamide
CID 89355205
2-[2-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-N-ethyl-2,3-dihydro-1,3-thiazole-4-carboxamide
CID 89181608
5-[2-[2-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-2,3-dihydro-1,3-thiazol-4-yl]-2-hydroxybenzamide
CID 89181531
methyl 4-[(2,3-dichlorophenyl)methyl]morpholine-2-carboxylate
CID 113346045
N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-2-(2-fluorophenyl)acetamide
CID 39472038
N-[[1-[(2,3-dichlorophenyl)methyl]pyrrolidin-3-yl]methyl]-2-[5-(4-methoxyphenyl)pyrrolidin-2-yl]sulfanylacetamide
CID 142649949
2-[2-[2-[[4-[(4-chlorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetic acid
CID 67169927
N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetamide
CID 35054371
methyl 2-[(2R)-4-[(2-chlorophenyl)methyl]morpholin-2-yl]acetate
CID 97062552
(4-benzylmorpholin-2-yl)methylcarbamic acid
CID 21104645
N-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-2-thiophen-2-ylacetamide
CID 142811336

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[[(2S)-4-[(2,3-dichlorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-2,3-dihydro-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-[2-[[(2S)-4-[(2,3-dichlorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-2,3-dihydro-1,3-thiazol-4-yl]acetic acid (CID 89181655) is 2-[2-[2-[[(2S)-4-[(2,3-dichlorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-2,3-dihydro-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-[2-[[(2S)-4-[(2,3-dichlorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-2,3-dihydro-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-[2-[[(2S)-4-[(2,3-dichlorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-2,3-dihydro-1,3-thiazol-4-yl]acetic acid is O=C(O)CC1=CSC(SCC(=O)NC[C@H]2CN(Cc3cccc(Cl)c3Cl)CCO2)N1.
What is the InChIKey of 2-[2-[2-[[(2S)-4-[(2,3-dichlorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-2,3-dihydro-1,3-thiazol-4-yl]acetic acid?
The InChIKey is UKBUVFFTWYYDKP-KTQQKIMGSA-N. The full InChI is InChI=1S/C19H23Cl2N3O4S2/c20-15-3-1-2-12(18(15)21)8-24-4-5-28-14(9-24)7-22-16(25)11-30-19-23-13(10-29-19)6-17(26)27/h1-3,10,14,19,23H,4-9,11H2,(H,22,25)(H,26,27)/t14-,19?/m0/s1.
What are the key properties of 2-[2-[2-[[(2S)-4-[(2,3-dichlorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-2,3-dihydro-1,3-thiazol-4-yl]acetic acid?
2-[2-[2-[[(2S)-4-[(2,3-dichlorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-2,3-dihydro-1,3-thiazol-4-yl]acetic acid has a molecular weight of 492.45 g/mol, XLogP of 2.98, 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-[(2,3-dichlorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-2,3-dihydro-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 89181655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).