(2R,3R)-N-[[5-[(2-chlorophenyl)methyl]thiophen-2-yl]methyl]-2,3-dihydroxy-3-(1,3-thiazol-2-yl)propanamide;ethane

C20H23ClN2O3S2 — CID 143479046

IUPAC(2R,3R)-N-[[5-[(2-chlorophenyl)methyl]thiophen-2-yl]methyl]-2,3-dihydroxy-3-(1,3-thiazol-2-yl)propanamide;ethane
SMILESCC.O=C(NCc1ccc(Cc2ccccc2Cl)s1)[C@H](O)[C@@H](O)c1nccs1
InChIInChI=1S/C18H17ClN2O3S2.C2H6/c19-14-4-2-1-3-11(14)9-12-5-6-13(26-12)10-21-17(24)15(22)16(23)18-20-7-8-25-18;1-2/h1-8,15-16,22-23H,9-10H2,(H,21,24);1-2H3/t15-,16-;/m1./s1
InChIKeyUEJIGKZOAUDDMW-QNBGGDODSA-N
MW439.00 g/mol
LogP4.19
Rot. Bonds7

About (2R,3R)-N-[[5-[(2-chlorophenyl)methyl]thiophen-2-yl]methyl]-2,3-dihydroxy-3-(1,3-thiazol-2-yl)propanamide;ethane

(2R,3R)-N-[[5-[(2-chlorophenyl)methyl]thiophen-2-yl]methyl]-2,3-dihydroxy-3-(1,3-thiazol-2-yl)propanamide;ethane (PubChem CID 143479046) has the molecular formula C20H23ClN2O3S2 and a molecular weight of 439.00 g/mol. Its IUPAC name is (2R,3R)-N-[[5-[(2-chlorophenyl)methyl]thiophen-2-yl]methyl]-2,3-dihydroxy-3-(1,3-thiazol-2-yl)propanamide;ethane.

Molecular Properties

Compound Name(2R,3R)-N-[[5-[(2-chlorophenyl)methyl]thiophen-2-yl]methyl]-2,3-dihydroxy-3-(1,3-thiazol-2-yl)propanamide;ethane
PubChem CID143479046
Molecular FormulaC20H23ClN2O3S2
Molecular Weight439.00 g/mol
Exact Mass438.08
IUPAC Name(2R,3R)-N-[[5-[(2-chlorophenyl)methyl]thiophen-2-yl]methyl]-2,3-dihydroxy-3-(1,3-thiazol-2-yl)propanamide;ethane
SMILESCC.O=C(NCc1ccc(Cc2ccccc2Cl)s1)[C@H](O)[C@@H](O)c1nccs1
InChIInChI=1S/C18H17ClN2O3S2.C2H6/c19-14-4-2-1-3-11(14)9-12-5-6-13(26-12)10-21-17(24)15(22)16(23)18-20-7-8-25-18;1-2/h1-8,15-16,22-23H,9-10H2,(H,21,24);1-2H3/t15-,16-;/m1./s1
InChIKeyUEJIGKZOAUDDMW-QNBGGDODSA-N
XLogP4.19
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.00
LogP ≤ 54.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,3R)-N-[[4-[(2-chlorophenyl)methyl]thiophen-2-yl]methyl]-2,3-dihydroxy-4-oxo-4-pyrrolidin-1-ylbutanamide;ethane;N-ethyl-1,3-thiazol-2-amine
CID 143155052
(2R,3R)-N-[[4-[(2-chlorophenyl)methyl]thiophen-2-yl]methyl]-2,3-dihydroxy-N'-propylbutanediamide
CID 143155116
2-[(2-chlorophenyl)methyl]-5-ethylthiophene
CID 58178507
2-[5-[[1-(1,3-thiazol-2-yl)propylamino]methyl]thiophen-2-yl]acetic acid
CID 82894965
methyl (2R,3R)-2-amino-3-hydroxy-3-(1,3-thiazol-2-yl)propanoate
CID 23243531
2-(2-hydroxyphenyl)-N-[2-(1,3-thiazol-2-yl)propyl]acetamide
CID 104583126
2-chloro-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]propanamide
CID 4969221
2-acetamido-N-benzyl-2-(1,3-thiazol-2-yl)acetamide
CID 14978593
2-[(5-chlorothiophen-2-yl)methyl-prop-2-enylamino]-N-[phenyl(1,3-thiazol-2-yl)methyl]acetamide
CID 56541056
2-methyl-N-[2-(1,3-thiazol-2-yl)propyl]propanamide
CID 104578837
N-[(5-chlorothiophen-2-yl)methyl]-2-hydroxypropanamide
CID 115140641
(2S)-2-amino-N-[[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-3-methylbutanamide
CID 120834323

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-[[5-[(2-chlorophenyl)methyl]thiophen-2-yl]methyl]-2,3-dihydroxy-3-(1,3-thiazol-2-yl)propanamide;ethane?
The IUPAC name of (2R,3R)-N-[[5-[(2-chlorophenyl)methyl]thiophen-2-yl]methyl]-2,3-dihydroxy-3-(1,3-thiazol-2-yl)propanamide;ethane (CID 143479046) is (2R,3R)-N-[[5-[(2-chlorophenyl)methyl]thiophen-2-yl]methyl]-2,3-dihydroxy-3-(1,3-thiazol-2-yl)propanamide;ethane.
What is the SMILES notation for (2R,3R)-N-[[5-[(2-chlorophenyl)methyl]thiophen-2-yl]methyl]-2,3-dihydroxy-3-(1,3-thiazol-2-yl)propanamide;ethane?
The canonical SMILES for (2R,3R)-N-[[5-[(2-chlorophenyl)methyl]thiophen-2-yl]methyl]-2,3-dihydroxy-3-(1,3-thiazol-2-yl)propanamide;ethane is CC.O=C(NCc1ccc(Cc2ccccc2Cl)s1)[C@H](O)[C@@H](O)c1nccs1.
What is the InChIKey of (2R,3R)-N-[[5-[(2-chlorophenyl)methyl]thiophen-2-yl]methyl]-2,3-dihydroxy-3-(1,3-thiazol-2-yl)propanamide;ethane?
The InChIKey is UEJIGKZOAUDDMW-QNBGGDODSA-N. The full InChI is InChI=1S/C18H17ClN2O3S2.C2H6/c19-14-4-2-1-3-11(14)9-12-5-6-13(26-12)10-21-17(24)15(22)16(23)18-20-7-8-25-18;1-2/h1-8,15-16,22-23H,9-10H2,(H,21,24);1-2H3/t15-,16-;/m1./s1.
What are the key properties of (2R,3R)-N-[[5-[(2-chlorophenyl)methyl]thiophen-2-yl]methyl]-2,3-dihydroxy-3-(1,3-thiazol-2-yl)propanamide;ethane?
(2R,3R)-N-[[5-[(2-chlorophenyl)methyl]thiophen-2-yl]methyl]-2,3-dihydroxy-3-(1,3-thiazol-2-yl)propanamide;ethane has a molecular weight of 439.00 g/mol, XLogP of 4.19, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-[[5-[(2-chlorophenyl)methyl]thiophen-2-yl]methyl]-2,3-dihydroxy-3-(1,3-thiazol-2-yl)propanamide;ethane is sourced from PubChem (CID 143479046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).