4-methyl-N-[(E)-1,3-thiazol-5-ylmethylideneamino]thiadiazole-5-carboxamide

C8H7N5OS2 — CID 146025236

IUPAC4-methyl-N-[(E)-1,3-thiazol-5-ylmethylideneamino]thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)N/N=C/c1cncs1
InChIInChI=1S/C8H7N5OS2/c1-5-7(16-13-11-5)8(14)12-10-3-6-2-9-4-15-6/h2-4H,1H3,(H,12,14)/b10-3+
InChIKeyBUIIYJBNWKXHKP-XCVCLJGOSA-N
MW253.31 g/mol
LogP1.07
Rot. Bonds3

About 4-methyl-N-[(E)-1,3-thiazol-5-ylmethylideneamino]thiadiazole-5-carboxamide

4-methyl-N-[(E)-1,3-thiazol-5-ylmethylideneamino]thiadiazole-5-carboxamide (PubChem CID 146025236) has the molecular formula C8H7N5OS2 and a molecular weight of 253.31 g/mol. Its IUPAC name is 4-methyl-N-[(E)-1,3-thiazol-5-ylmethylideneamino]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[(E)-1,3-thiazol-5-ylmethylideneamino]thiadiazole-5-carboxamide
PubChem CID146025236
Molecular FormulaC8H7N5OS2
Molecular Weight253.31 g/mol
Exact Mass253.01
IUPAC Name4-methyl-N-[(E)-1,3-thiazol-5-ylmethylideneamino]thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)N/N=C/c1cncs1
InChIInChI=1S/C8H7N5OS2/c1-5-7(16-13-11-5)8(14)12-10-3-6-2-9-4-15-6/h2-4H,1H3,(H,12,14)/b10-3+
InChIKeyBUIIYJBNWKXHKP-XCVCLJGOSA-N
XLogP1.07
TPSA80.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 51.07
H-Bond Donors ≤ 51
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

N-[(4-methoxyphenyl)methylideneamino]-4-methylthiadiazole-5-carboxamide
CID 4109418
N-[(2,6-dichlorophenyl)methylideneamino]-4-methylthiadiazole-5-carboxamide
CID 4055872
4-methyl-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]thiadiazole-5-carboxamide
CID 5403819
N-[(Z)-(4-ethoxyphenyl)methylideneamino]-4-methylthiadiazole-5-carboxamide
CID 6000143
N-[(3-hydroxy-4-methoxyphenyl)methylideneamino]-4-methylthiadiazole-5-carboxamide
CID 141236547
N-[(E)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-4-methylthiadiazole-5-carboxamide
CID 146025242
4-methyl-N-[(Z)-(6-methyl-4-oxochromen-3-yl)methylideneamino]thiadiazole-5-carboxamide
CID 44724851
N-[(E)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-4-methylthiadiazole-5-carboxamide
CID 6075112
4-methyl-N-(1,2,4-triazol-4-yl)thiadiazole-5-carboxamide
CID 21008276
N-[(4-methylthiadiazol-5-yl)methylideneamino]benzamide
CID 172773901
N-cyano-4-methylthiadiazole-5-carboxamide
CID 79195320
N-ethyl-4-methylthiadiazole-5-carboxamide
CID 60660728

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(E)-1,3-thiazol-5-ylmethylideneamino]thiadiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[(E)-1,3-thiazol-5-ylmethylideneamino]thiadiazole-5-carboxamide (CID 146025236) is 4-methyl-N-[(E)-1,3-thiazol-5-ylmethylideneamino]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[(E)-1,3-thiazol-5-ylmethylideneamino]thiadiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[(E)-1,3-thiazol-5-ylmethylideneamino]thiadiazole-5-carboxamide is Cc1nnsc1C(=O)N/N=C/c1cncs1.
What is the InChIKey of 4-methyl-N-[(E)-1,3-thiazol-5-ylmethylideneamino]thiadiazole-5-carboxamide?
The InChIKey is BUIIYJBNWKXHKP-XCVCLJGOSA-N. The full InChI is InChI=1S/C8H7N5OS2/c1-5-7(16-13-11-5)8(14)12-10-3-6-2-9-4-15-6/h2-4H,1H3,(H,12,14)/b10-3+.
What are the key properties of 4-methyl-N-[(E)-1,3-thiazol-5-ylmethylideneamino]thiadiazole-5-carboxamide?
4-methyl-N-[(E)-1,3-thiazol-5-ylmethylideneamino]thiadiazole-5-carboxamide has a molecular weight of 253.31 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(E)-1,3-thiazol-5-ylmethylideneamino]thiadiazole-5-carboxamide is sourced from PubChem (CID 146025236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).