1-(2-methoxyethyl)-N-[4-methoxy-7-[(Z)-1-methyliminobut-2-en-2-yl]-[1,3]thiazolo[4,5-c]pyridin-2-yl]pyrazole-4-carboxamide

C19H22N6O3S — CID 167215801

IUPAC1-(2-methoxyethyl)-N-[4-methoxy-7-[(Z)-1-methyliminobut-2-en-2-yl]-[1,3]thiazolo[4,5-c]pyridin-2-yl]pyrazole-4-carboxamide
SMILESC/C=C(\C=N\C)c1cnc(OC)c2nc(NC(=O)c3cnn(CCOC)c3)sc12
InChIInChI=1S/C19H22N6O3S/c1-5-12(8-20-2)14-10-21-18(28-4)15-16(14)29-19(23-15)24-17(26)13-9-22-25(11-13)6-7-27-3/h5,8-11H,6-7H2,1-4H3,(H,23,24,26)/b12-5+,20-8+
InChIKeyIDRXAJZDURCCMG-LRBLODDOSA-N
MW414.49 g/mol
LogP2.90
Rot. Bonds8

About 1-(2-methoxyethyl)-N-[4-methoxy-7-[(Z)-1-methyliminobut-2-en-2-yl]-[1,3]thiazolo[4,5-c]pyridin-2-yl]pyrazole-4-carboxamide

1-(2-methoxyethyl)-N-[4-methoxy-7-[(Z)-1-methyliminobut-2-en-2-yl]-[1,3]thiazolo[4,5-c]pyridin-2-yl]pyrazole-4-carboxamide (PubChem CID 167215801) has the molecular formula C19H22N6O3S and a molecular weight of 414.49 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-N-[4-methoxy-7-[(Z)-1-methyliminobut-2-en-2-yl]-[1,3]thiazolo[4,5-c]pyridin-2-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyethyl)-N-[4-methoxy-7-[(Z)-1-methyliminobut-2-en-2-yl]-[1,3]thiazolo[4,5-c]pyridin-2-yl]pyrazole-4-carboxamide
PubChem CID167215801
Molecular FormulaC19H22N6O3S
Molecular Weight414.49 g/mol
Exact Mass414.15
IUPAC Name1-(2-methoxyethyl)-N-[4-methoxy-7-[(Z)-1-methyliminobut-2-en-2-yl]-[1,3]thiazolo[4,5-c]pyridin-2-yl]pyrazole-4-carboxamide
SMILESC/C=C(\C=N\C)c1cnc(OC)c2nc(NC(=O)c3cnn(CCOC)c3)sc12
InChIInChI=1S/C19H22N6O3S/c1-5-12(8-20-2)14-10-21-18(28-4)15-16(14)29-19(23-15)24-17(26)13-9-22-25(11-13)6-7-27-3/h5,8-11H,6-7H2,1-4H3,(H,23,24,26)/b12-5+,20-8+
InChIKeyIDRXAJZDURCCMG-LRBLODDOSA-N
XLogP2.90
TPSA103.52 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.49
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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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
1-(2-methoxyethyl)-N-(4-methoxy-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrole-3-carboxamide
CID 146653113
1-benzyl-N-(4-methoxy-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide
CID 24564587
4-[(2E,4E)-5-fluoro-6-methylhepta-2,4,6-trien-3-yl]-1-(2-methoxyethyl)pyrazole
CID 156794361
3-[4-[(4-methyl-1,3-benzothiazol-2-yl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19471204
4-[(dimethylamino)methyl]-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)benzamide
CID 137462623
N-(5-cyclohexa-2,4-dien-1-yl-8-methoxyquinolin-2-yl)-1-(2-methoxyethyl)pyrazole-4-carboxamide
CID 170141319
N-[1-(2-methoxyethyl)pyrazol-4-yl]but-2-enamide
CID 78968035
phenyl 1-(2-methoxyethyl)pyrazole-4-carboxylate
CID 58592595
1-cyano-N-[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]cyclopropane-1-carboxamide
CID 146652751
2-[4-[(4-methyl-1,3-benzothiazol-2-yl)carbamoyl]pyrazol-1-yl]acetic acid
CID 19500585
4-amino-N-[1-(2-methoxyethyl)pyrazol-4-yl]-6-methylpyridine-3-carboxamide
CID 81240834

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-N-[4-methoxy-7-[(Z)-1-methyliminobut-2-en-2-yl]-[1,3]thiazolo[4,5-c]pyridin-2-yl]pyrazole-4-carboxamide?
The IUPAC name of 1-(2-methoxyethyl)-N-[4-methoxy-7-[(Z)-1-methyliminobut-2-en-2-yl]-[1,3]thiazolo[4,5-c]pyridin-2-yl]pyrazole-4-carboxamide (CID 167215801) is 1-(2-methoxyethyl)-N-[4-methoxy-7-[(Z)-1-methyliminobut-2-en-2-yl]-[1,3]thiazolo[4,5-c]pyridin-2-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(2-methoxyethyl)-N-[4-methoxy-7-[(Z)-1-methyliminobut-2-en-2-yl]-[1,3]thiazolo[4,5-c]pyridin-2-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1-(2-methoxyethyl)-N-[4-methoxy-7-[(Z)-1-methyliminobut-2-en-2-yl]-[1,3]thiazolo[4,5-c]pyridin-2-yl]pyrazole-4-carboxamide is C/C=C(\C=N\C)c1cnc(OC)c2nc(NC(=O)c3cnn(CCOC)c3)sc12.
What is the InChIKey of 1-(2-methoxyethyl)-N-[4-methoxy-7-[(Z)-1-methyliminobut-2-en-2-yl]-[1,3]thiazolo[4,5-c]pyridin-2-yl]pyrazole-4-carboxamide?
The InChIKey is IDRXAJZDURCCMG-LRBLODDOSA-N. The full InChI is InChI=1S/C19H22N6O3S/c1-5-12(8-20-2)14-10-21-18(28-4)15-16(14)29-19(23-15)24-17(26)13-9-22-25(11-13)6-7-27-3/h5,8-11H,6-7H2,1-4H3,(H,23,24,26)/b12-5+,20-8+.
What are the key properties of 1-(2-methoxyethyl)-N-[4-methoxy-7-[(Z)-1-methyliminobut-2-en-2-yl]-[1,3]thiazolo[4,5-c]pyridin-2-yl]pyrazole-4-carboxamide?
1-(2-methoxyethyl)-N-[4-methoxy-7-[(Z)-1-methyliminobut-2-en-2-yl]-[1,3]thiazolo[4,5-c]pyridin-2-yl]pyrazole-4-carboxamide has a molecular weight of 414.49 g/mol, XLogP of 2.90, 8 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-[(Z)-1-methyliminobut-2-en-2-yl]-[1,3]thiazolo[4,5-c]pyridin-2-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 167215801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).