2-benzylsulfanyl-N-(4-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide

C19H15FN2OS2 — CID 42523518

IUPAC2-benzylsulfanyl-N-(4-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide
SMILESC#CCn1/c(=N/C(=O)CSCc2ccccc2)sc2cccc(F)c21
InChIInChI=1S/C19H15FN2OS2/c1-2-11-22-18-15(20)9-6-10-16(18)25-19(22)21-17(23)13-24-12-14-7-4-3-5-8-14/h1,3-10H,11-13H2/b21-19-
InChIKeyBPCKYEDRJZRQIV-VZCXRCSSSA-N
MW370.47 g/mol
LogP3.84
Rot. Bonds5

About 2-benzylsulfanyl-N-(4-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide

2-benzylsulfanyl-N-(4-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide (PubChem CID 42523518) has the molecular formula C19H15FN2OS2 and a molecular weight of 370.47 g/mol. Its IUPAC name is 2-benzylsulfanyl-N-(4-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide.

Molecular Properties

Compound Name2-benzylsulfanyl-N-(4-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide
PubChem CID42523518
Molecular FormulaC19H15FN2OS2
Molecular Weight370.47 g/mol
Exact Mass370.06
IUPAC Name2-benzylsulfanyl-N-(4-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide
SMILESC#CCn1/c(=N/C(=O)CSCc2ccccc2)sc2cccc(F)c21
InChIInChI=1S/C19H15FN2OS2/c1-2-11-22-18-15(20)9-6-10-16(18)25-19(22)21-17(23)13-24-12-14-7-4-3-5-8-14/h1,3-10H,11-13H2/b21-19-
InChIKeyBPCKYEDRJZRQIV-VZCXRCSSSA-N
XLogP3.84
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-benzylsulfanyl-N-(4-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide 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-(4-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-(4-methoxyphenyl)acetamide
CID 40700323
N-(4-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-(2-methylphenoxy)acetamide
CID 43945349
N-(4-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2-iodobenzamide
CID 5046210
N-(4-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)cyclopentanecarboxamide
CID 43945329
2-(3,5-dimethylpyrazol-1-yl)-N-(4-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide
CID 43945875
methyl 4-[(4-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate
CID 5139423
2-benzylsulfanyl-N-(4,6-difluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)acetamide
CID 42523511
2-benzylsulfanyl-N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)acetamide
CID 42523430
N-(4-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 43945863
N-(4-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-(4-methoxyphenyl)sulfonylpropanamide
CID 41324238
methyl 2-[4-fluoro-2-(3-phenylpropanoylimino)-1,3-benzothiazol-3-yl]acetate
CID 3466649
7-ethoxy-N-(4-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1-benzofuran-2-carboxamide
CID 40889892

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-N-(4-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide?
The IUPAC name of 2-benzylsulfanyl-N-(4-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide (CID 42523518) is 2-benzylsulfanyl-N-(4-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide.
What is the SMILES notation for 2-benzylsulfanyl-N-(4-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide?
The canonical SMILES for 2-benzylsulfanyl-N-(4-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide is C#CCn1/c(=N/C(=O)CSCc2ccccc2)sc2cccc(F)c21.
What is the InChIKey of 2-benzylsulfanyl-N-(4-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide?
The InChIKey is BPCKYEDRJZRQIV-VZCXRCSSSA-N. The full InChI is InChI=1S/C19H15FN2OS2/c1-2-11-22-18-15(20)9-6-10-16(18)25-19(22)21-17(23)13-24-12-14-7-4-3-5-8-14/h1,3-10H,11-13H2/b21-19-.
What are the key properties of 2-benzylsulfanyl-N-(4-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide?
2-benzylsulfanyl-N-(4-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide has a molecular weight of 370.47 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-N-(4-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide is sourced from PubChem (CID 42523518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).