2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(5-chloro-2-phenylmethoxyphenyl)methylideneamino]acetamide

C18H16ClN5O2S — CID 1410288

IUPAC2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(5-chloro-2-phenylmethoxyphenyl)methylideneamino]acetamide
SMILESNc1nnc(CC(=O)NN=Cc2cc(Cl)ccc2OCc2ccccc2)s1
InChIInChI=1S/C18H16ClN5O2S/c19-14-6-7-15(26-11-12-4-2-1-3-5-12)13(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)
InChIKeyQAJZMJOSYVKICA-UHFFFAOYSA-N
MW401.88 g/mol
LogP3.05
Rot. Bonds7

About 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(5-chloro-2-phenylmethoxyphenyl)methylideneamino]acetamide

2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(5-chloro-2-phenylmethoxyphenyl)methylideneamino]acetamide (PubChem CID 1410288) has the molecular formula C18H16ClN5O2S and a molecular weight of 401.88 g/mol. Its IUPAC name is 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(5-chloro-2-phenylmethoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(5-chloro-2-phenylmethoxyphenyl)methylideneamino]acetamide
PubChem CID1410288
Molecular FormulaC18H16ClN5O2S
Molecular Weight401.88 g/mol
Exact Mass401.07
IUPAC Name2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(5-chloro-2-phenylmethoxyphenyl)methylideneamino]acetamide
SMILESNc1nnc(CC(=O)NN=Cc2cc(Cl)ccc2OCc2ccccc2)s1
InChIInChI=1S/C18H16ClN5O2S/c19-14-6-7-15(26-11-12-4-2-1-3-5-12)13(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)
InChIKeyQAJZMJOSYVKICA-UHFFFAOYSA-N
XLogP3.05
TPSA102.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.88
LogP ≤ 53.05
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-[(E)-(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 6875423
2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]acetamide
CID 5339960
[[5-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]urea
CID 168532744
N'-[[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-phenylpropanediamide
CID 3274983
2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(E)-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]acetamide
CID 6862608
2-(4-chlorophenyl)-N-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 21379839
2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(3-hydroxyphenyl)methylideneamino]acetamide
CID 714368
2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]acetamide
CID 135699257
2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(E)-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]acetamide
CID 44537677
N-[(E)-[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 99944538
2-(2-amino-1,3-benzothiazol-6-yl)-N-[(Z)-(3-chloro-4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 110522694
N-[(Z)-(5-chloro-2-phenylmethoxyphenyl)methylideneamino]-4-ethoxybenzamide
CID 29148787

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(5-chloro-2-phenylmethoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(5-chloro-2-phenylmethoxyphenyl)methylideneamino]acetamide (CID 1410288) is 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(5-chloro-2-phenylmethoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(5-chloro-2-phenylmethoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(5-chloro-2-phenylmethoxyphenyl)methylideneamino]acetamide is Nc1nnc(CC(=O)NN=Cc2cc(Cl)ccc2OCc2ccccc2)s1.
What is the InChIKey of 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(5-chloro-2-phenylmethoxyphenyl)methylideneamino]acetamide?
The InChIKey is QAJZMJOSYVKICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN5O2S/c19-14-6-7-15(26-11-12-4-2-1-3-5-12)13(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).
What are the key properties of 2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(5-chloro-2-phenylmethoxyphenyl)methylideneamino]acetamide?
2-(5-amino-1,3,4-thiadiazol-2-yl)-N-[(5-chloro-2-phenylmethoxyphenyl)methylideneamino]acetamide has a molecular weight of 401.88 g/mol, XLogP of 3.05, 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-[(5-chloro-2-phenylmethoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 1410288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).