4-[[[(5-methyltetrazol-1-yl)-thiophen-3-ylmethylidene]amino]oxymethyl]-1,3-thiazol-2-amine

C11H11N7OS2 — CID 76677915

IUPAC4-[[[(5-methyltetrazol-1-yl)-thiophen-3-ylmethylidene]amino]oxymethyl]-1,3-thiazol-2-amine
SMILESCc1nnnn1C(=NOCc1csc(N)n1)c1ccsc1
InChIInChI=1S/C11H11N7OS2/c1-7-14-16-17-18(7)10(8-2-3-20-5-8)15-19-4-9-6-21-11(12)13-9/h2-3,5-6H,4H2,1H3,(H2,12,13)
InChIKeyMJOFMIFAVWSJLQ-UHFFFAOYSA-N
MW321.39 g/mol
LogP1.51
Rot. Bonds4

About 4-[[[(5-methyltetrazol-1-yl)-thiophen-3-ylmethylidene]amino]oxymethyl]-1,3-thiazol-2-amine

4-[[[(5-methyltetrazol-1-yl)-thiophen-3-ylmethylidene]amino]oxymethyl]-1,3-thiazol-2-amine (PubChem CID 76677915) has the molecular formula C11H11N7OS2 and a molecular weight of 321.39 g/mol. Its IUPAC name is 4-[[[(5-methyltetrazol-1-yl)-thiophen-3-ylmethylidene]amino]oxymethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[[[(5-methyltetrazol-1-yl)-thiophen-3-ylmethylidene]amino]oxymethyl]-1,3-thiazol-2-amine
PubChem CID76677915
Molecular FormulaC11H11N7OS2
Molecular Weight321.39 g/mol
Exact Mass321.05
IUPAC Name4-[[[(5-methyltetrazol-1-yl)-thiophen-3-ylmethylidene]amino]oxymethyl]-1,3-thiazol-2-amine
SMILESCc1nnnn1C(=NOCc1csc(N)n1)c1ccsc1
InChIInChI=1S/C11H11N7OS2/c1-7-14-16-17-18(7)10(8-2-3-20-5-8)15-19-4-9-6-21-11(12)13-9/h2-3,5-6H,4H2,1H3,(H2,12,13)
InChIKeyMJOFMIFAVWSJLQ-UHFFFAOYSA-N
XLogP1.51
TPSA104.10 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.39
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[[(5-methyltetrazol-1-yl)-thiophen-3-ylmethylidene]amino]oxymethyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[[[(5-methyltetrazol-1-yl)-thiophen-3-ylmethylidene]amino]oxymethyl]-1,3-thiazol-2-amine (CID 76677915) is 4-[[[(5-methyltetrazol-1-yl)-thiophen-3-ylmethylidene]amino]oxymethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[[[(5-methyltetrazol-1-yl)-thiophen-3-ylmethylidene]amino]oxymethyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[[[(5-methyltetrazol-1-yl)-thiophen-3-ylmethylidene]amino]oxymethyl]-1,3-thiazol-2-amine is Cc1nnnn1C(=NOCc1csc(N)n1)c1ccsc1.
What is the InChIKey of 4-[[[(5-methyltetrazol-1-yl)-thiophen-3-ylmethylidene]amino]oxymethyl]-1,3-thiazol-2-amine?
The InChIKey is MJOFMIFAVWSJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N7OS2/c1-7-14-16-17-18(7)10(8-2-3-20-5-8)15-19-4-9-6-21-11(12)13-9/h2-3,5-6H,4H2,1H3,(H2,12,13).
What are the key properties of 4-[[[(5-methyltetrazol-1-yl)-thiophen-3-ylmethylidene]amino]oxymethyl]-1,3-thiazol-2-amine?
4-[[[(5-methyltetrazol-1-yl)-thiophen-3-ylmethylidene]amino]oxymethyl]-1,3-thiazol-2-amine has a molecular weight of 321.39 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[(5-methyltetrazol-1-yl)-thiophen-3-ylmethylidene]amino]oxymethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 76677915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).