N-ethyl-N-(2-methoxyethyl)-2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide

C18H23N3O2S — CID 138384560

IUPACN-ethyl-N-(2-methoxyethyl)-2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide
SMILESCCN(CCOC)C(=O)C1CCc2sc(-c3ccncc3)nc2C1
InChIInChI=1S/C18H23N3O2S/c1-3-21(10-11-23-2)18(22)14-4-5-16-15(12-14)20-17(24-16)13-6-8-19-9-7-13/h6-9,14H,3-5,10-12H2,1-2H3
InChIKeyVERAYYYFCHDMOT-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.80
Rot. Bonds6

About N-ethyl-N-(2-methoxyethyl)-2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide

N-ethyl-N-(2-methoxyethyl)-2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide (PubChem CID 138384560) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is N-ethyl-N-(2-methoxyethyl)-2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(2-methoxyethyl)-2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide
PubChem CID138384560
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC NameN-ethyl-N-(2-methoxyethyl)-2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide
SMILESCCN(CCOC)C(=O)C1CCc2sc(-c3ccncc3)nc2C1
InChIInChI=1S/C18H23N3O2S/c1-3-21(10-11-23-2)18(22)14-4-5-16-15(12-14)20-17(24-16)13-6-8-19-9-7-13/h6-9,14H,3-5,10-12H2,1-2H3
InChIKeyVERAYYYFCHDMOT-UHFFFAOYSA-N
XLogP2.80
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-ethyl-N-(2-methoxyethyl)-2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-methoxyethyl)-2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide?
The IUPAC name of N-ethyl-N-(2-methoxyethyl)-2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide (CID 138384560) is N-ethyl-N-(2-methoxyethyl)-2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide.
What is the SMILES notation for N-ethyl-N-(2-methoxyethyl)-2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide?
The canonical SMILES for N-ethyl-N-(2-methoxyethyl)-2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide is CCN(CCOC)C(=O)C1CCc2sc(-c3ccncc3)nc2C1.
What is the InChIKey of N-ethyl-N-(2-methoxyethyl)-2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide?
The InChIKey is VERAYYYFCHDMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-3-21(10-11-23-2)18(22)14-4-5-16-15(12-14)20-17(24-16)13-6-8-19-9-7-13/h6-9,14H,3-5,10-12H2,1-2H3.
What are the key properties of N-ethyl-N-(2-methoxyethyl)-2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide?
N-ethyl-N-(2-methoxyethyl)-2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide has a molecular weight of 345.47 g/mol, XLogP of 2.80, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-methoxyethyl)-2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-5-carboxamide is sourced from PubChem (CID 138384560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).