N-[3-(2-ethoxyethyl)-6-methoxy-1,3-benzothiazol-2-ylidene]-2-(1,2,4-triazol-1-yl)acetamide

C16H19N5O3S — CID 43938285

IUPACN-[3-(2-ethoxyethyl)-6-methoxy-1,3-benzothiazol-2-ylidene]-2-(1,2,4-triazol-1-yl)acetamide
SMILESCCOCCn1/c(=N/C(=O)Cn2cncn2)sc2cc(OC)ccc21
InChIInChI=1S/C16H19N5O3S/c1-3-24-7-6-21-13-5-4-12(23-2)8-14(13)25-16(21)19-15(22)9-20-11-17-10-18-20/h4-5,8,10-11H,3,6-7,9H2,1-2H3/b19-16-
InChIKeyKMBZCCQTUMQWAQ-MNDPQUGUSA-N
MW361.43 g/mol
LogP1.47
Rot. Bonds7

About N-[3-(2-ethoxyethyl)-6-methoxy-1,3-benzothiazol-2-ylidene]-2-(1,2,4-triazol-1-yl)acetamide

N-[3-(2-ethoxyethyl)-6-methoxy-1,3-benzothiazol-2-ylidene]-2-(1,2,4-triazol-1-yl)acetamide (PubChem CID 43938285) has the molecular formula C16H19N5O3S and a molecular weight of 361.43 g/mol. Its IUPAC name is N-[3-(2-ethoxyethyl)-6-methoxy-1,3-benzothiazol-2-ylidene]-2-(1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[3-(2-ethoxyethyl)-6-methoxy-1,3-benzothiazol-2-ylidene]-2-(1,2,4-triazol-1-yl)acetamide
PubChem CID43938285
Molecular FormulaC16H19N5O3S
Molecular Weight361.43 g/mol
Exact Mass361.12
IUPAC NameN-[3-(2-ethoxyethyl)-6-methoxy-1,3-benzothiazol-2-ylidene]-2-(1,2,4-triazol-1-yl)acetamide
SMILESCCOCCn1/c(=N/C(=O)Cn2cncn2)sc2cc(OC)ccc21
InChIInChI=1S/C16H19N5O3S/c1-3-24-7-6-21-13-5-4-12(23-2)8-14(13)25-16(21)19-15(22)9-20-11-17-10-18-20/h4-5,8,10-11H,3,6-7,9H2,1-2H3/b19-16-
InChIKeyKMBZCCQTUMQWAQ-MNDPQUGUSA-N
XLogP1.47
TPSA83.53 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.43
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-[6-methoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-(1,2,4-triazol-1-yl)acetamide
CID 43938582
N-[3-(2-ethoxyethyl)-6-methoxy-1,3-benzothiazol-2-ylidene]propanamide
CID 5154082
methyl 3-(2-methoxyethyl)-2-[2-(1,2,4-triazol-1-yl)acetyl]imino-1,3-benzothiazole-6-carboxylate
CID 43938420
N-(6-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-(1,2,4-triazol-1-yl)acetamide
CID 43945827
N-[3-(2-ethoxyethyl)-6-methoxy-1,3-benzothiazol-2-ylidene]-2-(3-methoxyphenoxy)acetamide
CID 43937490
N-[3-(2-ethoxyethyl)-6-methoxy-1,3-benzothiazol-2-ylidene]-2-(3-methylphenyl)acetamide
CID 43937525
N-[3-(2-ethoxyethyl)-6-methoxy-1,3-benzothiazol-2-ylidene]-2-(4-propan-2-ylphenoxy)acetamide
CID 43937492
N-[6-bromo-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-2-(2,4-dimethoxyphenyl)acetamide
CID 16912636
N-[3-(2-ethoxyethyl)-6-methoxy-1,3-benzothiazol-2-ylidene]cyclohexanecarboxamide
CID 5075437
N-[3-(2-ethoxyethyl)-6-methoxy-1,3-benzothiazol-2-ylidene]-2,2-diphenylacetamide
CID 4106626
N-[3-(2-ethoxyethyl)-6-methoxy-1,3-benzothiazol-2-ylidene]-3-methyl-1,2-oxazole-5-carboxamide
CID 16880036
N-[3-(2-ethoxyethyl)-6-methoxy-1,3-benzothiazol-2-ylidene]quinoxaline-6-carboxamide
CID 43938276

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-ethoxyethyl)-6-methoxy-1,3-benzothiazol-2-ylidene]-2-(1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-[3-(2-ethoxyethyl)-6-methoxy-1,3-benzothiazol-2-ylidene]-2-(1,2,4-triazol-1-yl)acetamide (CID 43938285) is N-[3-(2-ethoxyethyl)-6-methoxy-1,3-benzothiazol-2-ylidene]-2-(1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-[3-(2-ethoxyethyl)-6-methoxy-1,3-benzothiazol-2-ylidene]-2-(1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-[3-(2-ethoxyethyl)-6-methoxy-1,3-benzothiazol-2-ylidene]-2-(1,2,4-triazol-1-yl)acetamide is CCOCCn1/c(=N/C(=O)Cn2cncn2)sc2cc(OC)ccc21.
What is the InChIKey of N-[3-(2-ethoxyethyl)-6-methoxy-1,3-benzothiazol-2-ylidene]-2-(1,2,4-triazol-1-yl)acetamide?
The InChIKey is KMBZCCQTUMQWAQ-MNDPQUGUSA-N. The full InChI is InChI=1S/C16H19N5O3S/c1-3-24-7-6-21-13-5-4-12(23-2)8-14(13)25-16(21)19-15(22)9-20-11-17-10-18-20/h4-5,8,10-11H,3,6-7,9H2,1-2H3/b19-16-.
What are the key properties of N-[3-(2-ethoxyethyl)-6-methoxy-1,3-benzothiazol-2-ylidene]-2-(1,2,4-triazol-1-yl)acetamide?
N-[3-(2-ethoxyethyl)-6-methoxy-1,3-benzothiazol-2-ylidene]-2-(1,2,4-triazol-1-yl)acetamide has a molecular weight of 361.43 g/mol, XLogP of 1.47, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-ethoxyethyl)-6-methoxy-1,3-benzothiazol-2-ylidene]-2-(1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 43938285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).