4-[[(Z)-[(1-methyltetrazol-5-yl)-[3-(trifluoromethoxy)phenyl]methylidene]amino]oxymethyl]-1,3-thiazol-2-amine

C14H12F3N7O2S — CID 87259588

IUPAC4-[[(Z)-[(1-methyltetrazol-5-yl)-[3-(trifluoromethoxy)phenyl]methylidene]amino]oxymethyl]-1,3-thiazol-2-amine
SMILESCn1nnnc1/C(=N\OCc1csc(N)n1)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C14H12F3N7O2S/c1-24-12(20-22-23-24)11(21-25-6-9-7-27-13(18)19-9)8-3-2-4-10(5-8)26-14(15,16)17/h2-5,7H,6H2,1H3,(H2,18,19)/b21-11-
InChIKeyKPWZBJFPRXIHFK-NHDPSOOVSA-N
MW399.36 g/mol
LogP2.12
Rot. Bonds6

About 4-[[(Z)-[(1-methyltetrazol-5-yl)-[3-(trifluoromethoxy)phenyl]methylidene]amino]oxymethyl]-1,3-thiazol-2-amine

4-[[(Z)-[(1-methyltetrazol-5-yl)-[3-(trifluoromethoxy)phenyl]methylidene]amino]oxymethyl]-1,3-thiazol-2-amine (PubChem CID 87259588) has the molecular formula C14H12F3N7O2S and a molecular weight of 399.36 g/mol. Its IUPAC name is 4-[[(Z)-[(1-methyltetrazol-5-yl)-[3-(trifluoromethoxy)phenyl]methylidene]amino]oxymethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[[(Z)-[(1-methyltetrazol-5-yl)-[3-(trifluoromethoxy)phenyl]methylidene]amino]oxymethyl]-1,3-thiazol-2-amine
PubChem CID87259588
Molecular FormulaC14H12F3N7O2S
Molecular Weight399.36 g/mol
Exact Mass399.07
IUPAC Name4-[[(Z)-[(1-methyltetrazol-5-yl)-[3-(trifluoromethoxy)phenyl]methylidene]amino]oxymethyl]-1,3-thiazol-2-amine
SMILESCn1nnnc1/C(=N\OCc1csc(N)n1)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C14H12F3N7O2S/c1-24-12(20-22-23-24)11(21-25-6-9-7-27-13(18)19-9)8-3-2-4-10(5-8)26-14(15,16)17/h2-5,7H,6H2,1H3,(H2,18,19)/b21-11-
InChIKeyKPWZBJFPRXIHFK-NHDPSOOVSA-N
XLogP2.12
TPSA113.33 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.36
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 4-[[(Z)-[(1-methyltetrazol-5-yl)-[3-(trifluoromethoxy)phenyl]methylidene]amino]oxymethyl]-1,3-thiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[[(1-methyltetrazol-5-yl)-[4-methyl-3-(trifluoromethyl)phenyl]methylidene]amino]oxymethyl]-1,3-thiazol-2-amine
CID 86647359
[6-[[[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]methanamine
CID 86653133
N-[4-[[[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-1,3-thiazol-2-yl]hexanamide
CID 58806356
3,3-dicyclopropyl-N-[4-[[(E)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-1,3-thiazol-2-yl]prop-2-enamide
CID 66547557
N-methyl-6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]pyridin-2-amine
CID 59582521
2-cyclohexyloxy-N-[4-[[(E)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-1,3-thiazol-2-yl]acetamide
CID 53247701
1-(1-methyltetrazol-5-yl)-1-[4-methyl-3-(trifluoromethyl)phenyl]-N-(pyrimidin-2-ylmethoxy)methanimine
CID 150931639
[6-[[[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl] N-aminocarbamate
CID 150170848
2-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]isoindole-1,3-dione
CID 87259404
2-[6-[[[(3-methylsulfanylphenyl)-(1-methyltetrazol-5-yl)methylidene]amino]oxymethyl]-2-pyridinyl]isoindole-1,3-dione
CID 86653143
(2E)-2-[(2-amino-1,3-thiazol-4-yl)methoxyimino]-N-hydroxy-2-(3-methoxyphenyl)-N-methylethanimidamide
CID 131735486
4-[[[(5-methyltetrazol-1-yl)-thiophen-3-ylmethylidene]amino]oxymethyl]-1,3-thiazol-2-amine
CID 76677915

Frequently Asked Questions

What is the IUPAC name of 4-[[(Z)-[(1-methyltetrazol-5-yl)-[3-(trifluoromethoxy)phenyl]methylidene]amino]oxymethyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[[(Z)-[(1-methyltetrazol-5-yl)-[3-(trifluoromethoxy)phenyl]methylidene]amino]oxymethyl]-1,3-thiazol-2-amine (CID 87259588) is 4-[[(Z)-[(1-methyltetrazol-5-yl)-[3-(trifluoromethoxy)phenyl]methylidene]amino]oxymethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[[(Z)-[(1-methyltetrazol-5-yl)-[3-(trifluoromethoxy)phenyl]methylidene]amino]oxymethyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[[(Z)-[(1-methyltetrazol-5-yl)-[3-(trifluoromethoxy)phenyl]methylidene]amino]oxymethyl]-1,3-thiazol-2-amine is Cn1nnnc1/C(=N\OCc1csc(N)n1)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of 4-[[(Z)-[(1-methyltetrazol-5-yl)-[3-(trifluoromethoxy)phenyl]methylidene]amino]oxymethyl]-1,3-thiazol-2-amine?
The InChIKey is KPWZBJFPRXIHFK-NHDPSOOVSA-N. The full InChI is InChI=1S/C14H12F3N7O2S/c1-24-12(20-22-23-24)11(21-25-6-9-7-27-13(18)19-9)8-3-2-4-10(5-8)26-14(15,16)17/h2-5,7H,6H2,1H3,(H2,18,19)/b21-11-.
What are the key properties of 4-[[(Z)-[(1-methyltetrazol-5-yl)-[3-(trifluoromethoxy)phenyl]methylidene]amino]oxymethyl]-1,3-thiazol-2-amine?
4-[[(Z)-[(1-methyltetrazol-5-yl)-[3-(trifluoromethoxy)phenyl]methylidene]amino]oxymethyl]-1,3-thiazol-2-amine has a molecular weight of 399.36 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(Z)-[(1-methyltetrazol-5-yl)-[3-(trifluoromethoxy)phenyl]methylidene]amino]oxymethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 87259588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).