N-(3-methyl-1,3-benzothiazol-2-ylidene)-3-thiophen-2-ylprop-2-enamide

C15H12N2OS2 — CID 4048199

IUPACN-(3-methyl-1,3-benzothiazol-2-ylidene)-3-thiophen-2-ylprop-2-enamide
SMILESCn1/c(=N/C(=O)C=Cc2cccs2)sc2ccccc21
InChIInChI=1S/C15H12N2OS2/c1-17-12-6-2-3-7-13(12)20-15(17)16-14(18)9-8-11-5-4-10-19-11/h2-10H,1H3/b9-8?,16-15-
InChIKeyHMIUWVFPSXHRFH-ADVKXVPGSA-N
MW300.41 g/mol
LogP3.44
Rot. Bonds2

About N-(3-methyl-1,3-benzothiazol-2-ylidene)-3-thiophen-2-ylprop-2-enamide

N-(3-methyl-1,3-benzothiazol-2-ylidene)-3-thiophen-2-ylprop-2-enamide (PubChem CID 4048199) has the molecular formula C15H12N2OS2 and a molecular weight of 300.41 g/mol. Its IUPAC name is N-(3-methyl-1,3-benzothiazol-2-ylidene)-3-thiophen-2-ylprop-2-enamide.

Molecular Properties

Compound NameN-(3-methyl-1,3-benzothiazol-2-ylidene)-3-thiophen-2-ylprop-2-enamide
PubChem CID4048199
Molecular FormulaC15H12N2OS2
Molecular Weight300.41 g/mol
Exact Mass300.04
IUPAC NameN-(3-methyl-1,3-benzothiazol-2-ylidene)-3-thiophen-2-ylprop-2-enamide
SMILESCn1/c(=N/C(=O)C=Cc2cccs2)sc2ccccc21
InChIInChI=1S/C15H12N2OS2/c1-17-12-6-2-3-7-13(12)20-15(17)16-14(18)9-8-11-5-4-10-19-11/h2-10H,1H3/b9-8?,16-15-
InChIKeyHMIUWVFPSXHRFH-ADVKXVPGSA-N
XLogP3.44
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(5Z)-2-(phenylamino)-5-(thiophen-2-ylmethylidene)-1,3-thiazol-4(5H)-one
CID 135518515
N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide
CID 2321009
(2E)-2-(3-methyl-1,3-benzothiazol-2-ylidene)-1-thiophen-2-ylethanone
CID 1633229
(5E)-2-(4-phenylpiperazin-1-yl)-5-(thiophen-2-ylmethylidene)-1,3-thiazol-4(5H)-one
CID 1829480
(Z)-N-(3-methylbenzo[d]thiazol-2(3H)-ylidene)-2-((2-oxo-2-(pyrrolidin-1-yl)ethyl)thio)acetamide
CID 3238397
S-[2-[(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-oxoethyl] ethanethioate
CID 3245907
N-(6-acetamido-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2-thiophenecarboxamide
CID 3588669
(E)-N-(3-methylbenzo[d]thiazol-2(3H)-ylidene)-2-(phenylsulfonyl)acetamide
CID 18573226
N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide
CID 656374
(4E)-2-(Ethylsulfanyl)-1-phenyl-4-[(thiophen-3-YL)methylidene]-4,5-dihydro-1H-imidazol-5-one
CID 12004754
S-[2-[(6-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)amino]-2-oxoethyl] ethanethioate
CID 3490356
2-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)-1-(2-thienyl)ethanone
CID 1633230

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1,3-benzothiazol-2-ylidene)-3-thiophen-2-ylprop-2-enamide?
The IUPAC name of N-(3-methyl-1,3-benzothiazol-2-ylidene)-3-thiophen-2-ylprop-2-enamide (CID 4048199) is N-(3-methyl-1,3-benzothiazol-2-ylidene)-3-thiophen-2-ylprop-2-enamide.
What is the SMILES notation for N-(3-methyl-1,3-benzothiazol-2-ylidene)-3-thiophen-2-ylprop-2-enamide?
The canonical SMILES for N-(3-methyl-1,3-benzothiazol-2-ylidene)-3-thiophen-2-ylprop-2-enamide is Cn1/c(=N/C(=O)C=Cc2cccs2)sc2ccccc21.
What is the InChIKey of N-(3-methyl-1,3-benzothiazol-2-ylidene)-3-thiophen-2-ylprop-2-enamide?
The InChIKey is HMIUWVFPSXHRFH-ADVKXVPGSA-N. The full InChI is InChI=1S/C15H12N2OS2/c1-17-12-6-2-3-7-13(12)20-15(17)16-14(18)9-8-11-5-4-10-19-11/h2-10H,1H3/b9-8?,16-15-.
What are the key properties of N-(3-methyl-1,3-benzothiazol-2-ylidene)-3-thiophen-2-ylprop-2-enamide?
N-(3-methyl-1,3-benzothiazol-2-ylidene)-3-thiophen-2-ylprop-2-enamide has a molecular weight of 300.41 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1,3-benzothiazol-2-ylidene)-3-thiophen-2-ylprop-2-enamide is sourced from PubChem (CID 4048199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).