1-(2-methoxyethyl)-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide

C19H23N5O4S — CID 11676060

IUPAC1-(2-methoxyethyl)-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide
SMILESCOCCn1cc(C(=O)Nc2nc3c(OC)ccc(N4CCOCC4)c3s2)cn1
InChIInChI=1S/C19H23N5O4S/c1-26-8-7-24-12-13(11-20-24)18(25)22-19-21-16-15(27-2)4-3-14(17(16)29-19)23-5-9-28-10-6-23/h3-4,11-12H,5-10H2,1-2H3,(H,21,22,25)
InChIKeyYRQQCJDYRKFPJN-UHFFFAOYSA-N
MW417.49 g/mol
LogP2.24
Rot. Bonds7

About 1-(2-methoxyethyl)-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide

1-(2-methoxyethyl)-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide (PubChem CID 11676060) has the molecular formula C19H23N5O4S and a molecular weight of 417.49 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyethyl)-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide
PubChem CID11676060
Molecular FormulaC19H23N5O4S
Molecular Weight417.49 g/mol
Exact Mass417.15
IUPAC Name1-(2-methoxyethyl)-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide
SMILESCOCCn1cc(C(=O)Nc2nc3c(OC)ccc(N4CCOCC4)c3s2)cn1
InChIInChI=1S/C19H23N5O4S/c1-26-8-7-24-12-13(11-20-24)18(25)22-19-21-16-15(27-2)4-3-14(17(16)29-19)23-5-9-28-10-6-23/h3-4,11-12H,5-10H2,1-2H3,(H,21,22,25)
InChIKeyYRQQCJDYRKFPJN-UHFFFAOYSA-N
XLogP2.24
TPSA90.74 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide?
The IUPAC name of 1-(2-methoxyethyl)-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide (CID 11676060) is 1-(2-methoxyethyl)-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(2-methoxyethyl)-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(2-methoxyethyl)-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide is COCCn1cc(C(=O)Nc2nc3c(OC)ccc(N4CCOCC4)c3s2)cn1.
What is the InChIKey of 1-(2-methoxyethyl)-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide?
The InChIKey is YRQQCJDYRKFPJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O4S/c1-26-8-7-24-12-13(11-20-24)18(25)22-19-21-16-15(27-2)4-3-14(17(16)29-19)23-5-9-28-10-6-23/h3-4,11-12H,5-10H2,1-2H3,(H,21,22,25).
What are the key properties of 1-(2-methoxyethyl)-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide?
1-(2-methoxyethyl)-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide has a molecular weight of 417.49 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 11676060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).