[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-[(3S)-1,1-dioxothiolan-3-yl]acetate

C16H16ClNO4S2 — CID 8736570

IUPAC[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-[(3S)-1,1-dioxothiolan-3-yl]acetate
SMILESO=C(C[C@H]1CCS(=O)(=O)C1)OCc1csc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C16H16ClNO4S2/c17-13-3-1-12(2-4-13)16-18-14(9-23-16)8-22-15(19)7-11-5-6-24(20,21)10-11/h1-4,9,11H,5-8,10H2/t11-/m1/s1
InChIKeyNATCTMGTKPZSKQ-LLVKDONJSA-N
MW385.89 g/mol
LogP3.33
Rot. Bonds5

About [2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-[(3S)-1,1-dioxothiolan-3-yl]acetate

[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-[(3S)-1,1-dioxothiolan-3-yl]acetate (PubChem CID 8736570) has the molecular formula C16H16ClNO4S2 and a molecular weight of 385.89 g/mol. Its IUPAC name is [2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-[(3S)-1,1-dioxothiolan-3-yl]acetate.

Molecular Properties

Compound Name[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-[(3S)-1,1-dioxothiolan-3-yl]acetate
PubChem CID8736570
Molecular FormulaC16H16ClNO4S2
Molecular Weight385.89 g/mol
Exact Mass385.02
IUPAC Name[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-[(3S)-1,1-dioxothiolan-3-yl]acetate
SMILESO=C(C[C@H]1CCS(=O)(=O)C1)OCc1csc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C16H16ClNO4S2/c17-13-3-1-12(2-4-13)16-18-14(9-23-16)8-22-15(19)7-11-5-6-24(20,21)10-11/h1-4,9,11H,5-8,10H2/t11-/m1/s1
InChIKeyNATCTMGTKPZSKQ-LLVKDONJSA-N
XLogP3.33
TPSA73.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.89
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-[(3S)-1,1-dioxothiolan-3-yl]acetate with MolForge

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Related Compounds

[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(4-chlorophenoxy)acetate
CID 7750797
thiophen-2-ylmethyl 2-[(3S)-1,1-dioxothiolan-3-yl]acetate
CID 95586548
[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-[(2-phenylacetyl)amino]acetate
CID 8523886
[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-(2-oxo-1,3-thiazolidin-3-yl)acetate
CID 9003631
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-[(4-chlorobenzoyl)amino]acetate
CID 7879492
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 4-(4-chlorophenyl)-4-oxobutanoate
CID 8579793
(2,4-dichlorophenyl) 2-(1,1-dioxothiolan-3-yl)acetate
CID 4668174
[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-[(4-ethoxybenzoyl)amino]acetate
CID 46559526
[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-(furan-2-carbonylamino)acetate
CID 7880026
[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-[(3-methoxybenzoyl)amino]acetate
CID 7882402
[2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethyl] 2-[(3R)-1,1-dioxothiolan-3-yl]acetate
CID 8736851
2-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxyamino]-2-cyanoacetamide
CID 146298756

Frequently Asked Questions

What is the IUPAC name of [2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-[(3S)-1,1-dioxothiolan-3-yl]acetate?
The IUPAC name of [2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-[(3S)-1,1-dioxothiolan-3-yl]acetate (CID 8736570) is [2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-[(3S)-1,1-dioxothiolan-3-yl]acetate.
What is the SMILES notation for [2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-[(3S)-1,1-dioxothiolan-3-yl]acetate?
The canonical SMILES for [2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-[(3S)-1,1-dioxothiolan-3-yl]acetate is O=C(C[C@H]1CCS(=O)(=O)C1)OCc1csc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of [2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-[(3S)-1,1-dioxothiolan-3-yl]acetate?
The InChIKey is NATCTMGTKPZSKQ-LLVKDONJSA-N. The full InChI is InChI=1S/C16H16ClNO4S2/c17-13-3-1-12(2-4-13)16-18-14(9-23-16)8-22-15(19)7-11-5-6-24(20,21)10-11/h1-4,9,11H,5-8,10H2/t11-/m1/s1.
What are the key properties of [2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-[(3S)-1,1-dioxothiolan-3-yl]acetate?
[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-[(3S)-1,1-dioxothiolan-3-yl]acetate has a molecular weight of 385.89 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-[(3S)-1,1-dioxothiolan-3-yl]acetate is sourced from PubChem (CID 8736570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).