3-chloro-6-methyl-N-[(Z)-1-pyridin-2-ylethylideneamino]-1-benzothiophene-2-carboxamide

C17H14ClN3OS — CID 6074187

IUPAC3-chloro-6-methyl-N-[(Z)-1-pyridin-2-ylethylideneamino]-1-benzothiophene-2-carboxamide
SMILESC/C(=N/NC(=O)c1sc2cc(C)ccc2c1Cl)c1ccccn1
InChIInChI=1S/C17H14ClN3OS/c1-10-6-7-12-14(9-10)23-16(15(12)18)17(22)21-20-11(2)13-5-3-4-8-19-13/h3-9H,1-2H3,(H,21,22)/b20-11-
InChIKeyWAYPYPHZCRHHLZ-JAIQZWGSSA-N
MW343.84 g/mol
LogP4.41
Rot. Bonds3

About 3-chloro-6-methyl-N-[(Z)-1-pyridin-2-ylethylideneamino]-1-benzothiophene-2-carboxamide

3-chloro-6-methyl-N-[(Z)-1-pyridin-2-ylethylideneamino]-1-benzothiophene-2-carboxamide (PubChem CID 6074187) has the molecular formula C17H14ClN3OS and a molecular weight of 343.84 g/mol. Its IUPAC name is 3-chloro-6-methyl-N-[(Z)-1-pyridin-2-ylethylideneamino]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-6-methyl-N-[(Z)-1-pyridin-2-ylethylideneamino]-1-benzothiophene-2-carboxamide
PubChem CID6074187
Molecular FormulaC17H14ClN3OS
Molecular Weight343.84 g/mol
Exact Mass343.05
IUPAC Name3-chloro-6-methyl-N-[(Z)-1-pyridin-2-ylethylideneamino]-1-benzothiophene-2-carboxamide
SMILESC/C(=N/NC(=O)c1sc2cc(C)ccc2c1Cl)c1ccccn1
InChIInChI=1S/C17H14ClN3OS/c1-10-6-7-12-14(9-10)23-16(15(12)18)17(22)21-20-11(2)13-5-3-4-8-19-13/h3-9H,1-2H3,(H,21,22)/b20-11-
InChIKeyWAYPYPHZCRHHLZ-JAIQZWGSSA-N
XLogP4.41
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.84
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-[(Z)-1-pyridin-2-ylethylideneamino]-1-benzothiophene-2-carboxamide
CID 6032250
3-chloro-6-methyl-N-[(E)-pentan-2-ylideneamino]-1-benzothiophene-2-carboxamide
CID 19685389
3-chloro-6-methyl-N-[1-(3-nitrophenyl)ethylideneamino]-1-benzothiophene-2-carboxamide
CID 3496702
3-chloro-6-methyl-N-[(Z)-1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]-1-benzothiophene-2-carboxamide
CID 6293578
N-[1-(1-adamantyl)ethylideneamino]-3-chloro-6-methyl-1-benzothiophene-2-carboxamide
CID 4181697
4-methyl-N-[(E)-1-pyridin-2-ylethylideneamino]thiadiazole-5-carboxamide
CID 164702525
3-chloro-N-[1-[4-[(2,4-dichlorobenzoyl)amino]phenyl]ethylideneamino]-6-methyl-1-benzothiophene-2-carboxamide
CID 4643104
3,4-dichloro-N-(1-pyridin-2-ylethylideneamino)benzamide
CID 773914
3-chloro-N-(2-chlorophenyl)-6-methyl-1-benzothiophene-2-carboxamide
CID 896642
3-chloro-N-[(3-chlorophenyl)methylideneamino]-6-methyl-1-benzothiophene-2-carboxamide
CID 4150513
3-chloro-N-[(Z)-(3-hydroxyphenyl)methylideneamino]-6-methyl-1-benzothiophene-2-carboxamide
CID 5416445
3-chloro-N-(cyclododecylideneamino)-6-methyl-1-benzothiophene-2-carboxamide
CID 3555097

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-methyl-N-[(Z)-1-pyridin-2-ylethylideneamino]-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-chloro-6-methyl-N-[(Z)-1-pyridin-2-ylethylideneamino]-1-benzothiophene-2-carboxamide (CID 6074187) is 3-chloro-6-methyl-N-[(Z)-1-pyridin-2-ylethylideneamino]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-6-methyl-N-[(Z)-1-pyridin-2-ylethylideneamino]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-chloro-6-methyl-N-[(Z)-1-pyridin-2-ylethylideneamino]-1-benzothiophene-2-carboxamide is C/C(=N/NC(=O)c1sc2cc(C)ccc2c1Cl)c1ccccn1.
What is the InChIKey of 3-chloro-6-methyl-N-[(Z)-1-pyridin-2-ylethylideneamino]-1-benzothiophene-2-carboxamide?
The InChIKey is WAYPYPHZCRHHLZ-JAIQZWGSSA-N. The full InChI is InChI=1S/C17H14ClN3OS/c1-10-6-7-12-14(9-10)23-16(15(12)18)17(22)21-20-11(2)13-5-3-4-8-19-13/h3-9H,1-2H3,(H,21,22)/b20-11-.
What are the key properties of 3-chloro-6-methyl-N-[(Z)-1-pyridin-2-ylethylideneamino]-1-benzothiophene-2-carboxamide?
3-chloro-6-methyl-N-[(Z)-1-pyridin-2-ylethylideneamino]-1-benzothiophene-2-carboxamide has a molecular weight of 343.84 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-methyl-N-[(Z)-1-pyridin-2-ylethylideneamino]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 6074187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).