4-methyl-N-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)thiadiazole-5-carboxamide

C15H12N4OS2 — CID 43945653

IUPAC4-methyl-N-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)thiadiazole-5-carboxamide
SMILESC#CCn1/c(=N/C(=O)c2snnc2C)sc2cc(C)ccc21
InChIInChI=1S/C15H12N4OS2/c1-4-7-19-11-6-5-9(2)8-12(11)21-15(19)16-14(20)13-10(3)17-18-22-13/h1,5-6,8H,7H2,2-3H3/b16-15-
InChIKeyXCHFDUNNJQNUFC-NXVVXOECSA-N
MW328.42 g/mol
LogP2.55
Rot. Bonds2

About 4-methyl-N-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)thiadiazole-5-carboxamide

4-methyl-N-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)thiadiazole-5-carboxamide (PubChem CID 43945653) has the molecular formula C15H12N4OS2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 4-methyl-N-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)thiadiazole-5-carboxamide
PubChem CID43945653
Molecular FormulaC15H12N4OS2
Molecular Weight328.42 g/mol
Exact Mass328.05
IUPAC Name4-methyl-N-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)thiadiazole-5-carboxamide
SMILESC#CCn1/c(=N/C(=O)c2snnc2C)sc2cc(C)ccc21
InChIInChI=1S/C15H12N4OS2/c1-4-7-19-11-6-5-9(2)8-12(11)21-15(19)16-14(20)13-10(3)17-18-22-13/h1,5-6,8H,7H2,2-3H3/b16-15-
InChIKeyXCHFDUNNJQNUFC-NXVVXOECSA-N
XLogP2.55
TPSA60.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 4-methyl-N-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)thiadiazole-5-carboxamide 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

N-(6-ethoxy-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-methylthiadiazole-5-carboxamide
CID 43945815
N-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)pyrazine-2-carboxamide
CID 43945670
methyl 3-(2-methoxyethyl)-2-(4-methylthiadiazole-5-carbonyl)imino-1,3-benzothiazole-6-carboxylate
CID 43938408
3,4,5-trimethoxy-N-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide
CID 3561451
N-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-5-nitrothiophene-2-carboxamide
CID 4107928
2-(2,5-dimethylphenyl)-N-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide
CID 41342685
N-[3-(2-methoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-4-methylthiadiazole-5-carboxamide
CID 43938597
methyl 2-[6-butyl-2-(4-methylthiadiazole-5-carbonyl)imino-1,3-benzothiazol-3-yl]acetate
CID 43941370
N-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-propan-2-ylsulfonylbenzamide
CID 40700113
3-methyl-N-(3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide
CID 5079538
methyl 2-[2-(4-methylthiadiazole-5-carbonyl)imino-1,3-benzothiazol-3-yl]acetate
CID 43940937
N-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide
CID 5053192

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)thiadiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)thiadiazole-5-carboxamide (CID 43945653) is 4-methyl-N-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)thiadiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)thiadiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)thiadiazole-5-carboxamide is C#CCn1/c(=N/C(=O)c2snnc2C)sc2cc(C)ccc21.
What is the InChIKey of 4-methyl-N-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)thiadiazole-5-carboxamide?
The InChIKey is XCHFDUNNJQNUFC-NXVVXOECSA-N. The full InChI is InChI=1S/C15H12N4OS2/c1-4-7-19-11-6-5-9(2)8-12(11)21-15(19)16-14(20)13-10(3)17-18-22-13/h1,5-6,8H,7H2,2-3H3/b16-15-.
What are the key properties of 4-methyl-N-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)thiadiazole-5-carboxamide?
4-methyl-N-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)thiadiazole-5-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(6-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)thiadiazole-5-carboxamide is sourced from PubChem (CID 43945653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).