methyl 4-chloro-2-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]-1,3-thiazole-5-carboxylate

C11H16ClN3O3S — CID 61450412

IUPACmethyl 4-chloro-2-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]-1,3-thiazole-5-carboxylate
SMILESCCN(CC(=O)N(C)C)c1nc(Cl)c(C(=O)OC)s1
InChIInChI=1S/C11H16ClN3O3S/c1-5-15(6-7(16)14(2)3)11-13-9(12)8(19-11)10(17)18-4/h5-6H2,1-4H3
InChIKeyFGZUJQBKQYMHJP-UHFFFAOYSA-N
MW305.79 g/mol
LogP1.50
Rot. Bonds5

About methyl 4-chloro-2-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]-1,3-thiazole-5-carboxylate

methyl 4-chloro-2-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]-1,3-thiazole-5-carboxylate (PubChem CID 61450412) has the molecular formula C11H16ClN3O3S and a molecular weight of 305.79 g/mol. Its IUPAC name is methyl 4-chloro-2-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-chloro-2-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]-1,3-thiazole-5-carboxylate
PubChem CID61450412
Molecular FormulaC11H16ClN3O3S
Molecular Weight305.79 g/mol
Exact Mass305.06
IUPAC Namemethyl 4-chloro-2-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]-1,3-thiazole-5-carboxylate
SMILESCCN(CC(=O)N(C)C)c1nc(Cl)c(C(=O)OC)s1
InChIInChI=1S/C11H16ClN3O3S/c1-5-15(6-7(16)14(2)3)11-13-9(12)8(19-11)10(17)18-4/h5-6H2,1-4H3
InChIKeyFGZUJQBKQYMHJP-UHFFFAOYSA-N
XLogP1.50
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.79
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-2-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 4-chloro-2-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]-1,3-thiazole-5-carboxylate (CID 61450412) is methyl 4-chloro-2-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 4-chloro-2-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 4-chloro-2-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]-1,3-thiazole-5-carboxylate is CCN(CC(=O)N(C)C)c1nc(Cl)c(C(=O)OC)s1.
What is the InChIKey of methyl 4-chloro-2-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]-1,3-thiazole-5-carboxylate?
The InChIKey is FGZUJQBKQYMHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O3S/c1-5-15(6-7(16)14(2)3)11-13-9(12)8(19-11)10(17)18-4/h5-6H2,1-4H3.
What are the key properties of methyl 4-chloro-2-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]-1,3-thiazole-5-carboxylate?
methyl 4-chloro-2-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]-1,3-thiazole-5-carboxylate has a molecular weight of 305.79 g/mol, XLogP of 1.50, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-2-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 61450412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).