N-(4-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide

C15H9ClN2O2S — CID 2151347

IUPACN-(4-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide
SMILESC#CCn1/c(=N/C(=O)c2ccco2)sc2cccc(Cl)c21
InChIInChI=1S/C15H9ClN2O2S/c1-2-8-18-13-10(16)5-3-7-12(13)21-15(18)17-14(19)11-6-4-9-20-11/h1,3-7,9H,8H2/b17-15-
InChIKeyKZTFHVJDPZEMLW-ICFOKQHNSA-N
MW316.77 g/mol
LogP3.32
Rot. Bonds2

About N-(4-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide

N-(4-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide (PubChem CID 2151347) has the molecular formula C15H9ClN2O2S and a molecular weight of 316.77 g/mol. Its IUPAC name is N-(4-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide
PubChem CID2151347
Molecular FormulaC15H9ClN2O2S
Molecular Weight316.77 g/mol
Exact Mass316.01
IUPAC NameN-(4-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide
SMILESC#CCn1/c(=N/C(=O)c2ccco2)sc2cccc(Cl)c21
InChIInChI=1S/C15H9ClN2O2S/c1-2-8-18-13-10(16)5-3-7-12(13)21-15(18)17-14(19)11-6-4-9-20-11/h1,3-7,9H,8H2/b17-15-
InChIKeyKZTFHVJDPZEMLW-ICFOKQHNSA-N
XLogP3.32
TPSA47.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.77
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(4-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide?
The IUPAC name of N-(4-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide (CID 2151347) is N-(4-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide.
What is the SMILES notation for N-(4-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide?
The canonical SMILES for N-(4-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide is C#CCn1/c(=N/C(=O)c2ccco2)sc2cccc(Cl)c21.
What is the InChIKey of N-(4-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide?
The InChIKey is KZTFHVJDPZEMLW-ICFOKQHNSA-N. The full InChI is InChI=1S/C15H9ClN2O2S/c1-2-8-18-13-10(16)5-3-7-12(13)21-15(18)17-14(19)11-6-4-9-20-11/h1,3-7,9H,8H2/b17-15-.
What are the key properties of N-(4-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide?
N-(4-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide has a molecular weight of 316.77 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)furan-2-carboxamide is sourced from PubChem (CID 2151347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).