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

C13H15N3O2S — CID 90643513

IUPACethyl 4-(dimethylamino)-2-pyridin-4-yl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(-c2ccncc2)nc1N(C)C
InChIInChI=1S/C13H15N3O2S/c1-4-18-13(17)10-11(16(2)3)15-12(19-10)9-5-7-14-8-6-9/h5-8H,4H2,1-3H3
InChIKeySAUBSLDUTDQGFT-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.45
Rot. Bonds4

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

ethyl 4-(dimethylamino)-2-pyridin-4-yl-1,3-thiazole-5-carboxylate (PubChem CID 90643513) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is ethyl 4-(dimethylamino)-2-pyridin-4-yl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-(dimethylamino)-2-pyridin-4-yl-1,3-thiazole-5-carboxylate
PubChem CID90643513
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Nameethyl 4-(dimethylamino)-2-pyridin-4-yl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(-c2ccncc2)nc1N(C)C
InChIInChI=1S/C13H15N3O2S/c1-4-18-13(17)10-11(16(2)3)15-12(19-10)9-5-7-14-8-6-9/h5-8H,4H2,1-3H3
InChIKeySAUBSLDUTDQGFT-UHFFFAOYSA-N
XLogP2.45
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 4-(dimethylamino)-2-pyridin-4-yl-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 ethyl 4-(dimethylamino)-2-pyridin-4-yl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 4-(dimethylamino)-2-pyridin-4-yl-1,3-thiazole-5-carboxylate (CID 90643513) is ethyl 4-(dimethylamino)-2-pyridin-4-yl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 4-(dimethylamino)-2-pyridin-4-yl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 4-(dimethylamino)-2-pyridin-4-yl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(-c2ccncc2)nc1N(C)C.
What is the InChIKey of ethyl 4-(dimethylamino)-2-pyridin-4-yl-1,3-thiazole-5-carboxylate?
The InChIKey is SAUBSLDUTDQGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-4-18-13(17)10-11(16(2)3)15-12(19-10)9-5-7-14-8-6-9/h5-8H,4H2,1-3H3.
What are the key properties of ethyl 4-(dimethylamino)-2-pyridin-4-yl-1,3-thiazole-5-carboxylate?
ethyl 4-(dimethylamino)-2-pyridin-4-yl-1,3-thiazole-5-carboxylate has a molecular weight of 277.35 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(dimethylamino)-2-pyridin-4-yl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 90643513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).