N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-3-chloro-6-fluoro-1-benzothiophene-2-carboxamide

C20H10ClFN2O3S2 — CID 16548921

IUPACN-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-3-chloro-6-fluoro-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1nc(-c2ccco2)c(-c2ccco2)s1)c1sc2cc(F)ccc2c1Cl
InChIInChI=1S/C20H10ClFN2O3S2/c21-15-11-6-5-10(22)9-14(11)28-18(15)19(25)24-20-23-16(12-3-1-7-26-12)17(29-20)13-4-2-8-27-13/h1-9H,(H,23,24,25)
InChIKeyKQTBJHYFTQYMKP-UHFFFAOYSA-N
MW444.90 g/mol
LogP6.92
Rot. Bonds4

About N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-3-chloro-6-fluoro-1-benzothiophene-2-carboxamide

N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-3-chloro-6-fluoro-1-benzothiophene-2-carboxamide (PubChem CID 16548921) has the molecular formula C20H10ClFN2O3S2 and a molecular weight of 444.90 g/mol. Its IUPAC name is N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-3-chloro-6-fluoro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-3-chloro-6-fluoro-1-benzothiophene-2-carboxamide
PubChem CID16548921
Molecular FormulaC20H10ClFN2O3S2
Molecular Weight444.90 g/mol
Exact Mass443.98
IUPAC NameN-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-3-chloro-6-fluoro-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1nc(-c2ccco2)c(-c2ccco2)s1)c1sc2cc(F)ccc2c1Cl
InChIInChI=1S/C20H10ClFN2O3S2/c21-15-11-6-5-10(22)9-14(11)28-18(15)19(25)24-20-23-16(12-3-1-7-26-12)17(29-20)13-4-2-8-27-13/h1-9H,(H,23,24,25)
InChIKeyKQTBJHYFTQYMKP-UHFFFAOYSA-N
XLogP6.92
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.90
LogP ≤ 56.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-3-chloro-6-fluoro-1-benzothiophene-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

Related Compounds

N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-4-chlorobenzamide
CID 7916668
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-3-chloro-6-fluoro-1-benzothiophene-2-carboxamide
CID 35132079
N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide
CID 7916686
3-chloro-N-(2,5-difluorophenyl)-6-fluoro-1-benzothiophene-2-carboxamide
CID 3424498
N-(1H-benzimidazol-2-yl)-3-chloro-6-fluoro-1-benzothiophene-2-carboxamide
CID 8001748
N-(3-bromophenyl)-3-chloro-6-fluoro-1-benzothiophene-2-carboxamide
CID 26914051
N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-2,2-diphenylacetamide
CID 23875650
N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-2-(2-fluorophenyl)acetamide
CID 9328717
3-chloro-6-fluoro-N-quinolin-8-yl-1-benzothiophene-2-carboxamide
CID 26123631
3-chloro-6-fluoro-N-(5-fluoro-2-methylphenyl)-1-benzothiophene-2-carboxamide
CID 9097794
3-chloro-6-fluoro-N-(3-methylsulfanylphenyl)-1-benzothiophene-2-carboxamide
CID 2087791
N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-4-fluorobenzenesulfonamide
CID 25331204

Frequently Asked Questions

What is the IUPAC name of N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-3-chloro-6-fluoro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-3-chloro-6-fluoro-1-benzothiophene-2-carboxamide (CID 16548921) is N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-3-chloro-6-fluoro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-3-chloro-6-fluoro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-3-chloro-6-fluoro-1-benzothiophene-2-carboxamide is O=C(Nc1nc(-c2ccco2)c(-c2ccco2)s1)c1sc2cc(F)ccc2c1Cl.
What is the InChIKey of N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-3-chloro-6-fluoro-1-benzothiophene-2-carboxamide?
The InChIKey is KQTBJHYFTQYMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10ClFN2O3S2/c21-15-11-6-5-10(22)9-14(11)28-18(15)19(25)24-20-23-16(12-3-1-7-26-12)17(29-20)13-4-2-8-27-13/h1-9H,(H,23,24,25).
What are the key properties of N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-3-chloro-6-fluoro-1-benzothiophene-2-carboxamide?
N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-3-chloro-6-fluoro-1-benzothiophene-2-carboxamide has a molecular weight of 444.90 g/mol, XLogP of 6.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,5-bis(furan-2-yl)-1,3-thiazol-2-yl]-3-chloro-6-fluoro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 16548921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).