2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(E)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]acetamide

C18H16FN5O2S — CID 5349866

IUPAC2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(E)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]acetamide
SMILESNc1nnc(CC(=O)N/N=C/c2ccc(OCc3ccccc3F)cc2)s1
InChIInChI=1S/C18H16FN5O2S/c19-15-4-2-1-3-13(15)11-26-14-7-5-12(6-8-14)10-21-22-16(25)9-17-23-24-18(20)27-17/h1-8,10H,9,11H2,(H2,20,24)(H,22,25)/b21-10+
InChIKeyHSEGWKXTLXRBRZ-UFFVCSGVSA-N
MW385.42 g/mol
LogP2.53
Rot. Bonds7

About 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(E)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]acetamide

2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(E)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]acetamide (PubChem CID 5349866) has the molecular formula C18H16FN5O2S and a molecular weight of 385.42 g/mol. Its IUPAC name is 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(E)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]acetamide.

Molecular Properties

Compound Name2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(E)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]acetamide
PubChem CID5349866
Molecular FormulaC18H16FN5O2S
Molecular Weight385.42 g/mol
Exact Mass385.10
IUPAC Name2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(E)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]acetamide
SMILESNc1nnc(CC(=O)N/N=C/c2ccc(OCc3ccccc3F)cc2)s1
InChIInChI=1S/C18H16FN5O2S/c19-15-4-2-1-3-13(15)11-26-14-7-5-12(6-8-14)10-21-22-16(25)9-17-23-24-18(20)27-17/h1-8,10H,9,11H2,(H2,20,24)(H,22,25)/b21-10+
InChIKeyHSEGWKXTLXRBRZ-UFFVCSGVSA-N
XLogP2.53
TPSA102.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]acetamide
CID 1419519
2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 6875423
2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(E)-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]acetamide
CID 44537677
[(E)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]urea
CID 6872564
2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(E)-[3-bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 6865649
2-(4-fluorophenyl)-N-[(E)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 126248647
2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(3-hydroxyphenyl)methylideneamino]acetamide
CID 714368
N-[(E)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 110339735
2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(E)-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]acetamide
CID 6862608
2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]acetamide
CID 3742199
N-[[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 4675447
2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]acetamide
CID 5339960

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(E)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]acetamide?
The IUPAC name of 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(E)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]acetamide (CID 5349866) is 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(E)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]acetamide.
What is the SMILES notation for 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(E)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]acetamide?
The canonical SMILES for 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(E)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]acetamide is Nc1nnc(CC(=O)N/N=C/c2ccc(OCc3ccccc3F)cc2)s1.
What is the InChIKey of 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(E)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]acetamide?
The InChIKey is HSEGWKXTLXRBRZ-UFFVCSGVSA-N. The full InChI is InChI=1S/C18H16FN5O2S/c19-15-4-2-1-3-13(15)11-26-14-7-5-12(6-8-14)10-21-22-16(25)9-17-23-24-18(20)27-17/h1-8,10H,9,11H2,(H2,20,24)(H,22,25)/b21-10+.
What are the key properties of 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(E)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]acetamide?
2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(E)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]acetamide has a molecular weight of 385.42 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(E)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]acetamide is sourced from PubChem (CID 5349866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).