methyl 4-chloro-2-(ethylamino)-1,3-thiazole-5-carboxylate

C7H9ClN2O2S — CID 47256261

IUPACmethyl 4-chloro-2-(ethylamino)-1,3-thiazole-5-carboxylate
SMILESCCNc1nc(Cl)c(C(=O)OC)s1
InChIInChI=1S/C7H9ClN2O2S/c1-3-9-7-10-5(8)4(13-7)6(11)12-2/h3H2,1-2H3,(H,9,10)
InChIKeyQDLDXCDKIRAOHC-UHFFFAOYSA-N
MW220.68 g/mol
LogP2.01
Rot. Bonds3

About methyl 4-chloro-2-(ethylamino)-1,3-thiazole-5-carboxylate

methyl 4-chloro-2-(ethylamino)-1,3-thiazole-5-carboxylate (PubChem CID 47256261) has the molecular formula C7H9ClN2O2S and a molecular weight of 220.68 g/mol. Its IUPAC name is methyl 4-chloro-2-(ethylamino)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-chloro-2-(ethylamino)-1,3-thiazole-5-carboxylate
PubChem CID47256261
Molecular FormulaC7H9ClN2O2S
Molecular Weight220.68 g/mol
Exact Mass220.01
IUPAC Namemethyl 4-chloro-2-(ethylamino)-1,3-thiazole-5-carboxylate
SMILESCCNc1nc(Cl)c(C(=O)OC)s1
InChIInChI=1S/C7H9ClN2O2S/c1-3-9-7-10-5(8)4(13-7)6(11)12-2/h3H2,1-2H3,(H,9,10)
InChIKeyQDLDXCDKIRAOHC-UHFFFAOYSA-N
XLogP2.01
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.68
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-2-(ethylamino)-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 4-chloro-2-(ethylamino)-1,3-thiazole-5-carboxylate (CID 47256261) is methyl 4-chloro-2-(ethylamino)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 4-chloro-2-(ethylamino)-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 4-chloro-2-(ethylamino)-1,3-thiazole-5-carboxylate is CCNc1nc(Cl)c(C(=O)OC)s1.
What is the InChIKey of methyl 4-chloro-2-(ethylamino)-1,3-thiazole-5-carboxylate?
The InChIKey is QDLDXCDKIRAOHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2O2S/c1-3-9-7-10-5(8)4(13-7)6(11)12-2/h3H2,1-2H3,(H,9,10).
What are the key properties of methyl 4-chloro-2-(ethylamino)-1,3-thiazole-5-carboxylate?
methyl 4-chloro-2-(ethylamino)-1,3-thiazole-5-carboxylate has a molecular weight of 220.68 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-2-(ethylamino)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 47256261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).