N-(2-methoxyethyl)-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)thiophene-2-carboxamide

C17H18N4O2S2 — CID 46959892

IUPACN-(2-methoxyethyl)-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)thiophene-2-carboxamide
SMILESCOCCN(C(=O)c1cccs1)c1nc2c(s1)CCc1c-2cnn1C
InChIInChI=1S/C17H18N4O2S2/c1-20-12-5-6-13-15(11(12)10-18-20)19-17(25-13)21(7-8-23-2)16(22)14-4-3-9-24-14/h3-4,9-10H,5-8H2,1-2H3
InChIKeyHKAFUFLDYFYSME-UHFFFAOYSA-N
MW374.49 g/mol
LogP3.00
Rot. Bonds5

About N-(2-methoxyethyl)-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)thiophene-2-carboxamide

N-(2-methoxyethyl)-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)thiophene-2-carboxamide (PubChem CID 46959892) has the molecular formula C17H18N4O2S2 and a molecular weight of 374.49 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)thiophene-2-carboxamide
PubChem CID46959892
Molecular FormulaC17H18N4O2S2
Molecular Weight374.49 g/mol
Exact Mass374.09
IUPAC NameN-(2-methoxyethyl)-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)thiophene-2-carboxamide
SMILESCOCCN(C(=O)c1cccs1)c1nc2c(s1)CCc1c-2cnn1C
InChIInChI=1S/C17H18N4O2S2/c1-20-12-5-6-13-15(11(12)10-18-20)19-17(25-13)21(7-8-23-2)16(22)14-4-3-9-24-14/h3-4,9-10H,5-8H2,1-2H3
InChIKeyHKAFUFLDYFYSME-UHFFFAOYSA-N
XLogP3.00
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)thiophene-2-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)thiophene-2-carboxamide (CID 46959892) is N-(2-methoxyethyl)-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)thiophene-2-carboxamide is COCCN(C(=O)c1cccs1)c1nc2c(s1)CCc1c-2cnn1C.
What is the InChIKey of N-(2-methoxyethyl)-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)thiophene-2-carboxamide?
The InChIKey is HKAFUFLDYFYSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S2/c1-20-12-5-6-13-15(11(12)10-18-20)19-17(25-13)21(7-8-23-2)16(22)14-4-3-9-24-14/h3-4,9-10H,5-8H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)thiophene-2-carboxamide?
N-(2-methoxyethyl)-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)thiophene-2-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-(6-methyl-4,5-dihydropyrazolo[4,5-e][1,3]benzothiazol-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 46959892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).