N-(2-methoxyethyl)-1-methyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)benzimidazole-5-carboxamide

C19H23N5O2S — CID 155083765

IUPACN-(2-methoxyethyl)-1-methyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)benzimidazole-5-carboxamide
SMILESCOCCNC(=O)c1ccc2c(c1)nc(Nc1nc3c(s1)CCCC3)n2C
InChIInChI=1S/C19H23N5O2S/c1-24-15-8-7-12(17(25)20-9-10-26-2)11-14(15)21-18(24)23-19-22-13-5-3-4-6-16(13)27-19/h7-8,11H,3-6,9-10H2,1-2H3,(H,20,25)(H,21,22,23)
InChIKeyYJCXFSRFVZCIQP-UHFFFAOYSA-N
MW385.49 g/mol
LogP3.03
Rot. Bonds6

About N-(2-methoxyethyl)-1-methyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)benzimidazole-5-carboxamide

N-(2-methoxyethyl)-1-methyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)benzimidazole-5-carboxamide (PubChem CID 155083765) has the molecular formula C19H23N5O2S and a molecular weight of 385.49 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1-methyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1-methyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)benzimidazole-5-carboxamide
PubChem CID155083765
Molecular FormulaC19H23N5O2S
Molecular Weight385.49 g/mol
Exact Mass385.16
IUPAC NameN-(2-methoxyethyl)-1-methyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)benzimidazole-5-carboxamide
SMILESCOCCNC(=O)c1ccc2c(c1)nc(Nc1nc3c(s1)CCCC3)n2C
InChIInChI=1S/C19H23N5O2S/c1-24-15-8-7-12(17(25)20-9-10-26-2)11-14(15)21-18(24)23-19-22-13-5-3-4-6-16(13)27-19/h7-8,11H,3-6,9-10H2,1-2H3,(H,20,25)(H,21,22,23)
InChIKeyYJCXFSRFVZCIQP-UHFFFAOYSA-N
XLogP3.03
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-1-methyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)benzimidazole-5-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-1-methyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)benzimidazole-5-carboxamide (CID 155083765) is N-(2-methoxyethyl)-1-methyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)benzimidazole-5-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-1-methyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)benzimidazole-5-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-1-methyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)benzimidazole-5-carboxamide is COCCNC(=O)c1ccc2c(c1)nc(Nc1nc3c(s1)CCCC3)n2C.
What is the InChIKey of N-(2-methoxyethyl)-1-methyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)benzimidazole-5-carboxamide?
The InChIKey is YJCXFSRFVZCIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2S/c1-24-15-8-7-12(17(25)20-9-10-26-2)11-14(15)21-18(24)23-19-22-13-5-3-4-6-16(13)27-19/h7-8,11H,3-6,9-10H2,1-2H3,(H,20,25)(H,21,22,23).
What are the key properties of N-(2-methoxyethyl)-1-methyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)benzimidazole-5-carboxamide?
N-(2-methoxyethyl)-1-methyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)benzimidazole-5-carboxamide has a molecular weight of 385.49 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-1-methyl-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)benzimidazole-5-carboxamide is sourced from PubChem (CID 155083765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).