1-(2-methoxyethyl)-N-(4-methoxy-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrole-3-carboxamide

C19H23N5O4S — CID 146653113

IUPAC1-(2-methoxyethyl)-N-(4-methoxy-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrole-3-carboxamide
SMILESCOCCn1ccc(C(=O)Nc2nc3c(OC)ncc(N4CCOCC4)c3s2)c1
InChIInChI=1S/C19H23N5O4S/c1-26-8-5-23-4-3-13(12-23)17(25)22-19-21-15-16(29-19)14(11-20-18(15)27-2)24-6-9-28-10-7-24/h3-4,11-12H,5-10H2,1-2H3,(H,21,22,25)
InChIKeyQWEFVOBJPHDHRB-UHFFFAOYSA-N
MW417.49 g/mol
LogP2.24
Rot. Bonds7

About 1-(2-methoxyethyl)-N-(4-methoxy-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrole-3-carboxamide

1-(2-methoxyethyl)-N-(4-methoxy-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrole-3-carboxamide (PubChem CID 146653113) 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]thiazolo[4,5-c]pyridin-2-yl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyethyl)-N-(4-methoxy-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrole-3-carboxamide
PubChem CID146653113
Molecular FormulaC19H23N5O4S
Molecular Weight417.49 g/mol
Exact Mass417.15
IUPAC Name1-(2-methoxyethyl)-N-(4-methoxy-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrole-3-carboxamide
SMILESCOCCn1ccc(C(=O)Nc2nc3c(OC)ncc(N4CCOCC4)c3s2)c1
InChIInChI=1S/C19H23N5O4S/c1-26-8-5-23-4-3-13(12-23)17(25)22-19-21-15-16(29-19)14(11-20-18(15)27-2)24-6-9-28-10-7-24/h3-4,11-12H,5-10H2,1-2H3,(H,21,22,25)
InChIKeyQWEFVOBJPHDHRB-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

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Related Compounds

1-(2-methoxyethyl)-N-(4-methoxy-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrazole-4-carboxamide
CID 137474685
N-(4-methoxy-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-methyl-1,3-oxazole-5-carboxamide
CID 137462557
1-[1-[(4-methoxy-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)amino]ethenyl]-4-methylpiperidin-4-ol
CID 167215482
N-(4-bromo-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)benzamide
CID 137462568
2-(methoxymethyl)-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)-3-methylimidazole-4-carboxamide
CID 11553490
N-(4-methoxy-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-7-oxa-2-azaspiro[4.5]decane-2-carboxamide
CID 142524461
N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)-2-[methyl(propyl)amino]pyridine-4-carboxamide
CID 10160527
N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)-3-methyl-2-(pyrrolidin-1-ylmethyl)imidazole-4-carboxamide
CID 11525354
(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)urea
CID 22283121
N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)-5-methylthiophene-2-carboxamide
CID 86584913
2-[benzyl(methyl)amino]-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)pyridine-4-carboxamide
CID 10217629
2-[(2-ethoxyethylamino)methyl]-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)pyridine-4-carboxamide
CID 10217318

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-N-(4-methoxy-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrole-3-carboxamide?
The IUPAC name of 1-(2-methoxyethyl)-N-(4-methoxy-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrole-3-carboxamide (CID 146653113) is 1-(2-methoxyethyl)-N-(4-methoxy-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrole-3-carboxamide.
What is the SMILES notation for 1-(2-methoxyethyl)-N-(4-methoxy-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrole-3-carboxamide?
The canonical SMILES for 1-(2-methoxyethyl)-N-(4-methoxy-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrole-3-carboxamide is COCCn1ccc(C(=O)Nc2nc3c(OC)ncc(N4CCOCC4)c3s2)c1.
What is the InChIKey of 1-(2-methoxyethyl)-N-(4-methoxy-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrole-3-carboxamide?
The InChIKey is QWEFVOBJPHDHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O4S/c1-26-8-5-23-4-3-13(12-23)17(25)22-19-21-15-16(29-19)14(11-20-18(15)27-2)24-6-9-28-10-7-24/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]thiazolo[4,5-c]pyridin-2-yl)pyrrole-3-carboxamide?
1-(2-methoxyethyl)-N-(4-methoxy-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrole-3-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]thiazolo[4,5-c]pyridin-2-yl)pyrrole-3-carboxamide is sourced from PubChem (CID 146653113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).