ethyl 4-methyl-2-[(6-pyrrolidin-1-ylpyridazine-3-carbonyl)amino]-1,3-thiazole-5-carboxylate

C16H19N5O3S — CID 71778527

IUPACethyl 4-methyl-2-[(6-pyrrolidin-1-ylpyridazine-3-carbonyl)amino]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)c2ccc(N3CCCC3)nn2)nc1C
InChIInChI=1S/C16H19N5O3S/c1-3-24-15(23)13-10(2)17-16(25-13)18-14(22)11-6-7-12(20-19-11)21-8-4-5-9-21/h6-7H,3-5,8-9H2,1-2H3,(H,17,18,22)
InChIKeyOMDJDECSLFAFOX-UHFFFAOYSA-N
MW361.43 g/mol
LogP2.27
Rot. Bonds5

About ethyl 4-methyl-2-[(6-pyrrolidin-1-ylpyridazine-3-carbonyl)amino]-1,3-thiazole-5-carboxylate

ethyl 4-methyl-2-[(6-pyrrolidin-1-ylpyridazine-3-carbonyl)amino]-1,3-thiazole-5-carboxylate (PubChem CID 71778527) has the molecular formula C16H19N5O3S and a molecular weight of 361.43 g/mol. Its IUPAC name is ethyl 4-methyl-2-[(6-pyrrolidin-1-ylpyridazine-3-carbonyl)amino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-2-[(6-pyrrolidin-1-ylpyridazine-3-carbonyl)amino]-1,3-thiazole-5-carboxylate
PubChem CID71778527
Molecular FormulaC16H19N5O3S
Molecular Weight361.43 g/mol
Exact Mass361.12
IUPAC Nameethyl 4-methyl-2-[(6-pyrrolidin-1-ylpyridazine-3-carbonyl)amino]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)c2ccc(N3CCCC3)nn2)nc1C
InChIInChI=1S/C16H19N5O3S/c1-3-24-15(23)13-10(2)17-16(25-13)18-14(22)11-6-7-12(20-19-11)21-8-4-5-9-21/h6-7H,3-5,8-9H2,1-2H3,(H,17,18,22)
InChIKeyOMDJDECSLFAFOX-UHFFFAOYSA-N
XLogP2.27
TPSA97.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.43
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-2-[(6-pyrrolidin-1-ylpyridazine-3-carbonyl)amino]-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 4-methyl-2-[(6-pyrrolidin-1-ylpyridazine-3-carbonyl)amino]-1,3-thiazole-5-carboxylate (CID 71778527) is ethyl 4-methyl-2-[(6-pyrrolidin-1-ylpyridazine-3-carbonyl)amino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 4-methyl-2-[(6-pyrrolidin-1-ylpyridazine-3-carbonyl)amino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 4-methyl-2-[(6-pyrrolidin-1-ylpyridazine-3-carbonyl)amino]-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(NC(=O)c2ccc(N3CCCC3)nn2)nc1C.
What is the InChIKey of ethyl 4-methyl-2-[(6-pyrrolidin-1-ylpyridazine-3-carbonyl)amino]-1,3-thiazole-5-carboxylate?
The InChIKey is OMDJDECSLFAFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O3S/c1-3-24-15(23)13-10(2)17-16(25-13)18-14(22)11-6-7-12(20-19-11)21-8-4-5-9-21/h6-7H,3-5,8-9H2,1-2H3,(H,17,18,22).
What are the key properties of ethyl 4-methyl-2-[(6-pyrrolidin-1-ylpyridazine-3-carbonyl)amino]-1,3-thiazole-5-carboxylate?
ethyl 4-methyl-2-[(6-pyrrolidin-1-ylpyridazine-3-carbonyl)amino]-1,3-thiazole-5-carboxylate has a molecular weight of 361.43 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-2-[(6-pyrrolidin-1-ylpyridazine-3-carbonyl)amino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 71778527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).