ethyl 5-methyl-1-[(2-morpholin-4-yl-1,3-benzothiazol-4-yl)methyl]pyrazole-3-carboxylate

C19H22N4O3S — CID 144559713

IUPACethyl 5-methyl-1-[(2-morpholin-4-yl-1,3-benzothiazol-4-yl)methyl]pyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(C)n(Cc2cccc3sc(N4CCOCC4)nc23)n1
InChIInChI=1S/C19H22N4O3S/c1-3-26-18(24)15-11-13(2)23(21-15)12-14-5-4-6-16-17(14)20-19(27-16)22-7-9-25-10-8-22/h4-6,11H,3,7-10,12H2,1-2H3
InChIKeyRRDRSQCVHANMDQ-UHFFFAOYSA-N
MW386.48 g/mol
LogP2.86
Rot. Bonds5

About ethyl 5-methyl-1-[(2-morpholin-4-yl-1,3-benzothiazol-4-yl)methyl]pyrazole-3-carboxylate

ethyl 5-methyl-1-[(2-morpholin-4-yl-1,3-benzothiazol-4-yl)methyl]pyrazole-3-carboxylate (PubChem CID 144559713) has the molecular formula C19H22N4O3S and a molecular weight of 386.48 g/mol. Its IUPAC name is ethyl 5-methyl-1-[(2-morpholin-4-yl-1,3-benzothiazol-4-yl)methyl]pyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-1-[(2-morpholin-4-yl-1,3-benzothiazol-4-yl)methyl]pyrazole-3-carboxylate
PubChem CID144559713
Molecular FormulaC19H22N4O3S
Molecular Weight386.48 g/mol
Exact Mass386.14
IUPAC Nameethyl 5-methyl-1-[(2-morpholin-4-yl-1,3-benzothiazol-4-yl)methyl]pyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(C)n(Cc2cccc3sc(N4CCOCC4)nc23)n1
InChIInChI=1S/C19H22N4O3S/c1-3-26-18(24)15-11-13(2)23(21-15)12-14-5-4-6-16-17(14)20-19(27-16)22-7-9-25-10-8-22/h4-6,11H,3,7-10,12H2,1-2H3
InChIKeyRRDRSQCVHANMDQ-UHFFFAOYSA-N
XLogP2.86
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze ethyl 5-methyl-1-[(2-morpholin-4-yl-1,3-benzothiazol-4-yl)methyl]pyrazole-3-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

ethyl 5-methyl-1-[(2-pyrrolidin-1-yl-1,3-benzothiazol-4-yl)methyl]pyrazole-3-carboxylate
CID 144559744
ethyl 5-methyl-1-[(2-piperidin-1-yl-1,3-benzothiazol-4-yl)methyl]pyrazole-3-carboxylate
CID 144559789
ethyl 5-methyl-1-[(2-methyl-1,3-benzothiazol-4-yl)methyl]pyrazole-3-carboxylate
CID 144559590
ethyl 1-[[2-(3,6-dihydro-2H-pyridin-1-yl)-6-[(2E,4Z)-6-methylocta-2,4-dien-3-yl]-1,3-benzothiazol-4-yl]methyl]-5-methylpyrazole-3-carboxylate
CID 144559717
(1,5-dimethylpyrazol-3-yl)-[4-(4-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 16952260
ethane;4-(4-methyl-1,3-benzothiazol-2-yl)morpholine
CID 167513068
2-[1-(4-ethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-1-morpholin-4-ylethanone
CID 172902679
ethyl 1-[(6-chloro-2-ethenyl-1,3-benzothiazol-4-yl)methyl]-5-methylpyrazole-3-carboxylate
CID 144559767
ethyl 1-[(2-hydroxy-5-methoxyphenyl)methyl]-5-methylpyrazole-3-carboxylate
CID 58832830
[1-(4-ethoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 165435619
ethyl 5-methyl-1-[2-(2-methylpyrimidin-4-yl)ethyl]pyrazole-3-carboxylate
CID 118564360
ethyl 5-methyl-1-[(1-methylpyrazol-3-yl)methyl]pyrazole-3-carboxylate
CID 90351376

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-1-[(2-morpholin-4-yl-1,3-benzothiazol-4-yl)methyl]pyrazole-3-carboxylate?
The IUPAC name of ethyl 5-methyl-1-[(2-morpholin-4-yl-1,3-benzothiazol-4-yl)methyl]pyrazole-3-carboxylate (CID 144559713) is ethyl 5-methyl-1-[(2-morpholin-4-yl-1,3-benzothiazol-4-yl)methyl]pyrazole-3-carboxylate.
What is the SMILES notation for ethyl 5-methyl-1-[(2-morpholin-4-yl-1,3-benzothiazol-4-yl)methyl]pyrazole-3-carboxylate?
The canonical SMILES for ethyl 5-methyl-1-[(2-morpholin-4-yl-1,3-benzothiazol-4-yl)methyl]pyrazole-3-carboxylate is CCOC(=O)c1cc(C)n(Cc2cccc3sc(N4CCOCC4)nc23)n1.
What is the InChIKey of ethyl 5-methyl-1-[(2-morpholin-4-yl-1,3-benzothiazol-4-yl)methyl]pyrazole-3-carboxylate?
The InChIKey is RRDRSQCVHANMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3S/c1-3-26-18(24)15-11-13(2)23(21-15)12-14-5-4-6-16-17(14)20-19(27-16)22-7-9-25-10-8-22/h4-6,11H,3,7-10,12H2,1-2H3.
What are the key properties of ethyl 5-methyl-1-[(2-morpholin-4-yl-1,3-benzothiazol-4-yl)methyl]pyrazole-3-carboxylate?
ethyl 5-methyl-1-[(2-morpholin-4-yl-1,3-benzothiazol-4-yl)methyl]pyrazole-3-carboxylate has a molecular weight of 386.48 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-1-[(2-morpholin-4-yl-1,3-benzothiazol-4-yl)methyl]pyrazole-3-carboxylate is sourced from PubChem (CID 144559713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).