N-(3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide

C15H10N2OS2 — CID 5162392

IUPACN-(3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide
SMILESC#CCn1/c(=N/C(=O)c2cccs2)sc2ccccc21
InChIInChI=1S/C15H10N2OS2/c1-2-9-17-11-6-3-4-7-12(11)20-15(17)16-14(18)13-8-5-10-19-13/h1,3-8,10H,9H2/b16-15-
InChIKeyOOUCQUWYXSZNEU-NXVVXOECSA-N
MW298.39 g/mol
LogP3.14
Rot. Bonds2

About N-(3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide

N-(3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide (PubChem CID 5162392) has the molecular formula C15H10N2OS2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-(3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide
PubChem CID5162392
Molecular FormulaC15H10N2OS2
Molecular Weight298.39 g/mol
Exact Mass298.02
IUPAC NameN-(3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide
SMILESC#CCn1/c(=N/C(=O)c2cccs2)sc2ccccc21
InChIInChI=1S/C15H10N2OS2/c1-2-9-17-11-6-3-4-7-12(11)20-15(17)16-14(18)13-8-5-10-19-13/h1,3-8,10H,9H2/b16-15-
InChIKeyOOUCQUWYXSZNEU-NXVVXOECSA-N
XLogP3.14
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide
CID 2321009
2-[2-oxo-2-(2-thienyl)ethyl]-2H-[1,2,4]triazino[3,4-b][1,3]benzothiazole-3,4-dione
CID 2816743
2-(Methyl(phenyl)amino)-4H-thieno[3,2-d][1,3]thiazin-4-one
CID 3243363
(2E)-2-(3-methyl-1,3-benzothiazol-2-ylidene)-1-thiophen-2-ylethanone
CID 1633229
N-(6-acetamido-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2-thiophenecarboxamide
CID 3588669
2-(allylsulfanyl)-3-phenylthieno[3,2-d]pyrimidin-4(3H)-one
CID 3835199
2-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)-1-(2-thienyl)ethanone
CID 1633230
11H-Thieno(3'2':4,5)pyrimido(2,1-b)benzothiazol-11-one
CID 3074599
2-(N-ethylanilino)-4-thieno[3,2-d][1,3]thiazinone
CID 3239036
(Z)-N-(6-acetamido-3-(2-methoxyethyl)benzo[d]thiazol-2(3H)-ylidene)thiophene-2-carboxamide
CID 4048624
N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-5-bromothiophene-2-carboxamide
CID 4613619
5-chloro-N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide
CID 2104901

Frequently Asked Questions

What is the IUPAC name of N-(3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide?
The IUPAC name of N-(3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide (CID 5162392) is N-(3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide.
What is the SMILES notation for N-(3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide?
The canonical SMILES for N-(3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide is C#CCn1/c(=N/C(=O)c2cccs2)sc2ccccc21.
What is the InChIKey of N-(3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide?
The InChIKey is OOUCQUWYXSZNEU-NXVVXOECSA-N. The full InChI is InChI=1S/C15H10N2OS2/c1-2-9-17-11-6-3-4-7-12(11)20-15(17)16-14(18)13-8-5-10-19-13/h1,3-8,10H,9H2/b16-15-.
What are the key properties of N-(3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide?
N-(3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)thiophene-2-carboxamide is sourced from PubChem (CID 5162392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).