ethyl 2-(propylamino)-4-(pyridin-2-ylsulfanylmethyl)-1,3-thiazole-5-carboxylate

C15H19N3O2S2 — CID 19589660

IUPACethyl 2-(propylamino)-4-(pyridin-2-ylsulfanylmethyl)-1,3-thiazole-5-carboxylate
SMILESCCCNc1nc(CSc2ccccn2)c(C(=O)OCC)s1
InChIInChI=1S/C15H19N3O2S2/c1-3-8-17-15-18-11(13(22-15)14(19)20-4-2)10-21-12-7-5-6-9-16-12/h5-7,9H,3-4,8,10H2,1-2H3,(H,17,18)
InChIKeyYTVDOPKXSPOXBP-UHFFFAOYSA-N
MW337.47 g/mol
LogP3.83
Rot. Bonds8

About ethyl 2-(propylamino)-4-(pyridin-2-ylsulfanylmethyl)-1,3-thiazole-5-carboxylate

ethyl 2-(propylamino)-4-(pyridin-2-ylsulfanylmethyl)-1,3-thiazole-5-carboxylate (PubChem CID 19589660) has the molecular formula C15H19N3O2S2 and a molecular weight of 337.47 g/mol. Its IUPAC name is ethyl 2-(propylamino)-4-(pyridin-2-ylsulfanylmethyl)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(propylamino)-4-(pyridin-2-ylsulfanylmethyl)-1,3-thiazole-5-carboxylate
PubChem CID19589660
Molecular FormulaC15H19N3O2S2
Molecular Weight337.47 g/mol
Exact Mass337.09
IUPAC Nameethyl 2-(propylamino)-4-(pyridin-2-ylsulfanylmethyl)-1,3-thiazole-5-carboxylate
SMILESCCCNc1nc(CSc2ccccn2)c(C(=O)OCC)s1
InChIInChI=1S/C15H19N3O2S2/c1-3-8-17-15-18-11(13(22-15)14(19)20-4-2)10-21-12-7-5-6-9-16-12/h5-7,9H,3-4,8,10H2,1-2H3,(H,17,18)
InChIKeyYTVDOPKXSPOXBP-UHFFFAOYSA-N
XLogP3.83
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 2-(propylamino)-4-(pyridin-2-ylsulfanylmethyl)-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 2-(propylamino)-4-(pyridin-2-ylsulfanylmethyl)-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-(propylamino)-4-(pyridin-2-ylsulfanylmethyl)-1,3-thiazole-5-carboxylate (CID 19589660) is ethyl 2-(propylamino)-4-(pyridin-2-ylsulfanylmethyl)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-(propylamino)-4-(pyridin-2-ylsulfanylmethyl)-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-(propylamino)-4-(pyridin-2-ylsulfanylmethyl)-1,3-thiazole-5-carboxylate is CCCNc1nc(CSc2ccccn2)c(C(=O)OCC)s1.
What is the InChIKey of ethyl 2-(propylamino)-4-(pyridin-2-ylsulfanylmethyl)-1,3-thiazole-5-carboxylate?
The InChIKey is YTVDOPKXSPOXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S2/c1-3-8-17-15-18-11(13(22-15)14(19)20-4-2)10-21-12-7-5-6-9-16-12/h5-7,9H,3-4,8,10H2,1-2H3,(H,17,18).
What are the key properties of ethyl 2-(propylamino)-4-(pyridin-2-ylsulfanylmethyl)-1,3-thiazole-5-carboxylate?
ethyl 2-(propylamino)-4-(pyridin-2-ylsulfanylmethyl)-1,3-thiazole-5-carboxylate has a molecular weight of 337.47 g/mol, XLogP of 3.83, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(propylamino)-4-(pyridin-2-ylsulfanylmethyl)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 19589660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).