ethyl 2-[2-[2-(3-chloroanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetate

C15H15ClN2O3S2 — CID 2551014

IUPACethyl 2-[2-[2-(3-chloroanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(SCC(=O)Nc2cccc(Cl)c2)n1
InChIInChI=1S/C15H15ClN2O3S2/c1-2-21-14(20)7-12-8-22-15(18-12)23-9-13(19)17-11-5-3-4-10(16)6-11/h3-6,8H,2,7,9H2,1H3,(H,17,19)
InChIKeyHHERYDLVXRBRLB-UHFFFAOYSA-N
MW370.88 g/mol
LogP3.63
Rot. Bonds7

About ethyl 2-[2-[2-(3-chloroanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[2-(3-chloroanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetate (PubChem CID 2551014) has the molecular formula C15H15ClN2O3S2 and a molecular weight of 370.88 g/mol. Its IUPAC name is ethyl 2-[2-[2-(3-chloroanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[2-(3-chloroanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetate
PubChem CID2551014
Molecular FormulaC15H15ClN2O3S2
Molecular Weight370.88 g/mol
Exact Mass370.02
IUPAC Nameethyl 2-[2-[2-(3-chloroanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(SCC(=O)Nc2cccc(Cl)c2)n1
InChIInChI=1S/C15H15ClN2O3S2/c1-2-21-14(20)7-12-8-22-15(18-12)23-9-13(19)17-11-5-3-4-10(16)6-11/h3-6,8H,2,7,9H2,1H3,(H,17,19)
InChIKeyHHERYDLVXRBRLB-UHFFFAOYSA-N
XLogP3.63
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[2-[2-(3-chloroanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetate with MolForge

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Related Compounds

Ethyl (2-{[(4-chlorophenyl)carbamoyl]amino}-1,3-thiazol-4-yl)acetate
CID 2816687
Methyl {2-[(2-chlorophenyl)amino]-1,3-thiazol-4-yl}acetate
CID 970978
Methyl 2-[2-(3-chloro-4-fluoroanilino)-1,3-thiazol-4-yl]acetate
CID 2128623
Ethyl 2-[2-[1-(4-acetamidoanilino)-1-oxopropan-2-yl]sulfanyl-1,3-thiazol-4-yl]acetate
CID 5140468
Ethyl (2-{[(3-chloroanilino)carbonyl]amino}-1,3-thiazol-4-yl)acetate
CID 735999
Ethyl 2-(2-(3-(3,4-dichlorophenyl)ureido)thiazol-4-yl)acetate
CID 1051971
Ethyl 2-(2-((4-chlorophenyl)amino)thiazol-4-yl)acetate
CID 1133638
Methyl 2-(2-((4-chlorophenyl)amino)thiazol-4-yl)acetate
CID 1537496
N-(3-acetamidophenyl)-2-((4-(2-((3-chloro-4-fluorophenyl)amino)-2-oxoethyl)thiazol-2-yl)thio)acetamide
CID 16898619
N-(2-chloro-4-fluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 29454053
N-(4-chloro-2-fluorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 29454076
2-(2-((2-((4-Fluorophenyl)amino)-2-oxoethyl)thio)thiazol-4-yl)acetic acid
CID 44116809

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[2-(3-chloroanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[2-(3-chloroanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetate (CID 2551014) is ethyl 2-[2-[2-(3-chloroanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[2-(3-chloroanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[2-(3-chloroanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(SCC(=O)Nc2cccc(Cl)c2)n1.
What is the InChIKey of ethyl 2-[2-[2-(3-chloroanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetate?
The InChIKey is HHERYDLVXRBRLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O3S2/c1-2-21-14(20)7-12-8-22-15(18-12)23-9-13(19)17-11-5-3-4-10(16)6-11/h3-6,8H,2,7,9H2,1H3,(H,17,19).
What are the key properties of ethyl 2-[2-[2-(3-chloroanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[2-(3-chloroanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetate has a molecular weight of 370.88 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[2-(3-chloroanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 2551014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).