ethyl 2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carboxylate

C10H8ClNO2S2 — CID 78974871

IUPACethyl 2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(-c2ccc(Cl)s2)n1
InChIInChI=1S/C10H8ClNO2S2/c1-2-14-10(13)6-5-15-9(12-6)7-3-4-8(11)16-7/h3-5H,2H2,1H3
InChIKeyICEJRRMAXIPKPO-UHFFFAOYSA-N
MW273.77 g/mol
LogP3.70
Rot. Bonds3

About ethyl 2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carboxylate

ethyl 2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carboxylate (PubChem CID 78974871) has the molecular formula C10H8ClNO2S2 and a molecular weight of 273.77 g/mol. Its IUPAC name is ethyl 2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carboxylate
PubChem CID78974871
Molecular FormulaC10H8ClNO2S2
Molecular Weight273.77 g/mol
Exact Mass272.97
IUPAC Nameethyl 2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(-c2ccc(Cl)s2)n1
InChIInChI=1S/C10H8ClNO2S2/c1-2-14-10(13)6-5-15-9(12-6)7-3-4-8(11)16-7/h3-5H,2H2,1H3
InChIKeyICEJRRMAXIPKPO-UHFFFAOYSA-N
XLogP3.70
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.77
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-chlorothiophen-2-yl)-N-methoxy-N-methyl-1,3-thiazole-4-carboxamide
CID 47391839
2-[[2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carbonyl]-propylamino]acetic acid
CID 119205035
ethyl 2-[3-[[2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carbonyl]amino]phenoxy]acetate
CID 60584119
ethyl 2-(4,6-dichloro-2-pyridinyl)-1,3-thiazole-4-carboxylate
CID 169498589
2-(5-chlorothiophen-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 47391969
3-[[2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carbonyl]-ethylamino]propanoic acid
CID 119191125
2-[[2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carbonyl]amino]butanoic acid
CID 119223531
2-(5-chlorothiophen-2-yl)-N-(3-hydroxypropyl)-1,3-thiazole-4-carboxamide
CID 110904430
ethyl 2-(4-bromo-3-chlorophenyl)-1,3-thiazole-4-carboxylate
CID 114077100
ethyl 2-(4-chloro-2-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 106819010
N-(3-aminopropyl)-2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carboxamide
CID 119408363
ethyl 2-(3-bromo-4-chlorophenyl)-1,3-thiazole-4-carboxylate
CID 115565697

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carboxylate (CID 78974871) is ethyl 2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(-c2ccc(Cl)s2)n1.
What is the InChIKey of ethyl 2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carboxylate?
The InChIKey is ICEJRRMAXIPKPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNO2S2/c1-2-14-10(13)6-5-15-9(12-6)7-3-4-8(11)16-7/h3-5H,2H2,1H3.
What are the key properties of ethyl 2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carboxylate?
ethyl 2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carboxylate has a molecular weight of 273.77 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 78974871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).