N-benzyl-5-chloro-N-(4,6-difluoro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide

C19H11ClF2N2OS2 — CID 41110574

IUPACN-benzyl-5-chloro-N-(4,6-difluoro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
SMILESO=C(c1ccc(Cl)s1)N(Cc1ccccc1)c1nc2c(F)cc(F)cc2s1
InChIInChI=1S/C19H11ClF2N2OS2/c20-16-7-6-14(26-16)18(25)24(10-11-4-2-1-3-5-11)19-23-17-13(22)8-12(21)9-15(17)27-19/h1-9H,10H2
InChIKeyVHKMNTUNFADKJO-UHFFFAOYSA-N
MW420.89 g/mol
LogP6.14
Rot. Bonds4

About N-benzyl-5-chloro-N-(4,6-difluoro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide

N-benzyl-5-chloro-N-(4,6-difluoro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide (PubChem CID 41110574) has the molecular formula C19H11ClF2N2OS2 and a molecular weight of 420.89 g/mol. Its IUPAC name is N-benzyl-5-chloro-N-(4,6-difluoro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-chloro-N-(4,6-difluoro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
PubChem CID41110574
Molecular FormulaC19H11ClF2N2OS2
Molecular Weight420.89 g/mol
Exact Mass420.00
IUPAC NameN-benzyl-5-chloro-N-(4,6-difluoro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
SMILESO=C(c1ccc(Cl)s1)N(Cc1ccccc1)c1nc2c(F)cc(F)cc2s1
InChIInChI=1S/C19H11ClF2N2OS2/c20-16-7-6-14(26-16)18(25)24(10-11-4-2-1-3-5-11)19-23-17-13(22)8-12(21)9-15(17)27-19/h1-9H,10H2
InChIKeyVHKMNTUNFADKJO-UHFFFAOYSA-N
XLogP6.14
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.89
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-(4,6-difluoro-1,3-benzothiazol-2-yl)benzamide
CID 41110546
N-benzyl-2-bromo-N-(4,6-difluoro-1,3-benzothiazol-2-yl)benzamide
CID 41110559
N-benzyl-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2,4-dimethylbenzamide
CID 41110601
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide
CID 18572652
N-benzyl-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-4-ethylsulfonylbenzamide
CID 41110622
N-benzyl-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-ethylpyrazole-3-carboxamide
CID 42111295
N-benzyl-5-chloro-N-(4-ethoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 41109764
5-bromo-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
CID 41056142
N-benzyl-4-(diethylsulfamoyl)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)benzamide
CID 41110554
4-benzyl-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)benzamide
CID 41056164
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-phenyl-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide
CID 43966455
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-3-phenylpropanamide chloride
CID 53351309

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-chloro-N-(4,6-difluoro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide?
The IUPAC name of N-benzyl-5-chloro-N-(4,6-difluoro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide (CID 41110574) is N-benzyl-5-chloro-N-(4,6-difluoro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-benzyl-5-chloro-N-(4,6-difluoro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide?
The canonical SMILES for N-benzyl-5-chloro-N-(4,6-difluoro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide is O=C(c1ccc(Cl)s1)N(Cc1ccccc1)c1nc2c(F)cc(F)cc2s1.
What is the InChIKey of N-benzyl-5-chloro-N-(4,6-difluoro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide?
The InChIKey is VHKMNTUNFADKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11ClF2N2OS2/c20-16-7-6-14(26-16)18(25)24(10-11-4-2-1-3-5-11)19-23-17-13(22)8-12(21)9-15(17)27-19/h1-9H,10H2.
What are the key properties of N-benzyl-5-chloro-N-(4,6-difluoro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide?
N-benzyl-5-chloro-N-(4,6-difluoro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide has a molecular weight of 420.89 g/mol, XLogP of 6.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-chloro-N-(4,6-difluoro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 41110574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).