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

C10H14ClN3O3S — CID 47256272

IUPACmethyl 4-chloro-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(N(C)CC(=O)N(C)C)nc1Cl
InChIInChI=1S/C10H14ClN3O3S/c1-13(2)6(15)5-14(3)10-12-8(11)7(18-10)9(16)17-4/h5H2,1-4H3
InChIKeyDPQQLEPACYZDSX-UHFFFAOYSA-N
MW291.76 g/mol
LogP1.11
Rot. Bonds4

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

methyl 4-chloro-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-1,3-thiazole-5-carboxylate (PubChem CID 47256272) has the molecular formula C10H14ClN3O3S and a molecular weight of 291.76 g/mol. Its IUPAC name is methyl 4-chloro-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-chloro-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-1,3-thiazole-5-carboxylate
PubChem CID47256272
Molecular FormulaC10H14ClN3O3S
Molecular Weight291.76 g/mol
Exact Mass291.04
IUPAC Namemethyl 4-chloro-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1sc(N(C)CC(=O)N(C)C)nc1Cl
InChIInChI=1S/C10H14ClN3O3S/c1-13(2)6(15)5-14(3)10-12-8(11)7(18-10)9(16)17-4/h5H2,1-4H3
InChIKeyDPQQLEPACYZDSX-UHFFFAOYSA-N
XLogP1.11
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.76
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 4-chloro-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-1,3-thiazole-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 4-chloro-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-1,3-thiazole-5-carboxylate (CID 47256272) is methyl 4-chloro-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 4-chloro-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 4-chloro-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-1,3-thiazole-5-carboxylate is COC(=O)c1sc(N(C)CC(=O)N(C)C)nc1Cl.
What is the InChIKey of methyl 4-chloro-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-1,3-thiazole-5-carboxylate?
The InChIKey is DPQQLEPACYZDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O3S/c1-13(2)6(15)5-14(3)10-12-8(11)7(18-10)9(16)17-4/h5H2,1-4H3.
What are the key properties of methyl 4-chloro-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-1,3-thiazole-5-carboxylate?
methyl 4-chloro-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-1,3-thiazole-5-carboxylate has a molecular weight of 291.76 g/mol, XLogP of 1.11, 4 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]-methylamino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 47256272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).