ethyl 2-(2-acetamido-4-pyridinyl)-4-(2-chlorophenyl)-1,3-thiazole-5-carboxylate

C19H16ClN3O3S — CID 58095112

IUPACethyl 2-(2-acetamido-4-pyridinyl)-4-(2-chlorophenyl)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(-c2ccnc(NC(C)=O)c2)nc1-c1ccccc1Cl
InChIInChI=1S/C19H16ClN3O3S/c1-3-26-19(25)17-16(13-6-4-5-7-14(13)20)23-18(27-17)12-8-9-21-15(10-12)22-11(2)24/h4-10H,3H2,1-2H3,(H,21,22,24)
InChIKeyZFEMODGIGMKZIP-UHFFFAOYSA-N
MW401.88 g/mol
LogP4.66
Rot. Bonds5

About ethyl 2-(2-acetamido-4-pyridinyl)-4-(2-chlorophenyl)-1,3-thiazole-5-carboxylate

ethyl 2-(2-acetamido-4-pyridinyl)-4-(2-chlorophenyl)-1,3-thiazole-5-carboxylate (PubChem CID 58095112) has the molecular formula C19H16ClN3O3S and a molecular weight of 401.88 g/mol. Its IUPAC name is ethyl 2-(2-acetamido-4-pyridinyl)-4-(2-chlorophenyl)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2-acetamido-4-pyridinyl)-4-(2-chlorophenyl)-1,3-thiazole-5-carboxylate
PubChem CID58095112
Molecular FormulaC19H16ClN3O3S
Molecular Weight401.88 g/mol
Exact Mass401.06
IUPAC Nameethyl 2-(2-acetamido-4-pyridinyl)-4-(2-chlorophenyl)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(-c2ccnc(NC(C)=O)c2)nc1-c1ccccc1Cl
InChIInChI=1S/C19H16ClN3O3S/c1-3-26-19(25)17-16(13-6-4-5-7-14(13)20)23-18(27-17)12-8-9-21-15(10-12)22-11(2)24/h4-10H,3H2,1-2H3,(H,21,22,24)
InChIKeyZFEMODGIGMKZIP-UHFFFAOYSA-N
XLogP4.66
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.88
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-acetamido-4-pyridinyl)-4-(2-chlorophenyl)-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-(2-acetamido-4-pyridinyl)-4-(2-chlorophenyl)-1,3-thiazole-5-carboxylate (CID 58095112) is ethyl 2-(2-acetamido-4-pyridinyl)-4-(2-chlorophenyl)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-(2-acetamido-4-pyridinyl)-4-(2-chlorophenyl)-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-(2-acetamido-4-pyridinyl)-4-(2-chlorophenyl)-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(-c2ccnc(NC(C)=O)c2)nc1-c1ccccc1Cl.
What is the InChIKey of ethyl 2-(2-acetamido-4-pyridinyl)-4-(2-chlorophenyl)-1,3-thiazole-5-carboxylate?
The InChIKey is ZFEMODGIGMKZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O3S/c1-3-26-19(25)17-16(13-6-4-5-7-14(13)20)23-18(27-17)12-8-9-21-15(10-12)22-11(2)24/h4-10H,3H2,1-2H3,(H,21,22,24).
What are the key properties of ethyl 2-(2-acetamido-4-pyridinyl)-4-(2-chlorophenyl)-1,3-thiazole-5-carboxylate?
ethyl 2-(2-acetamido-4-pyridinyl)-4-(2-chlorophenyl)-1,3-thiazole-5-carboxylate has a molecular weight of 401.88 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-acetamido-4-pyridinyl)-4-(2-chlorophenyl)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 58095112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).