2-(3-chloro-4-cyanoanilino)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)acetamide

C16H9ClF2N4OS — CID 146255152

IUPAC2-(3-chloro-4-cyanoanilino)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)acetamide
SMILESN#Cc1ccc(NCC(=O)Nc2nc3c(F)cc(F)cc3s2)cc1Cl
InChIInChI=1S/C16H9ClF2N4OS/c17-11-5-10(2-1-8(11)6-20)21-7-14(24)22-16-23-15-12(19)3-9(18)4-13(15)25-16/h1-5,21H,7H2,(H,22,23,24)
InChIKeyPZJGSQJCTDGPMX-UHFFFAOYSA-N
MW378.79 g/mol
LogP4.15
Rot. Bonds4

About 2-(3-chloro-4-cyanoanilino)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)acetamide

2-(3-chloro-4-cyanoanilino)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)acetamide (PubChem CID 146255152) has the molecular formula C16H9ClF2N4OS and a molecular weight of 378.79 g/mol. Its IUPAC name is 2-(3-chloro-4-cyanoanilino)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(3-chloro-4-cyanoanilino)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)acetamide
PubChem CID146255152
Molecular FormulaC16H9ClF2N4OS
Molecular Weight378.79 g/mol
Exact Mass378.02
IUPAC Name2-(3-chloro-4-cyanoanilino)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)acetamide
SMILESN#Cc1ccc(NCC(=O)Nc2nc3c(F)cc(F)cc3s2)cc1Cl
InChIInChI=1S/C16H9ClF2N4OS/c17-11-5-10(2-1-8(11)6-20)21-7-14(24)22-16-23-15-12(19)3-9(18)4-13(15)25-16/h1-5,21H,7H2,(H,22,23,24)
InChIKeyPZJGSQJCTDGPMX-UHFFFAOYSA-N
XLogP4.15
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.79
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-chloro-5-cyanophenyl)-3-(4,6-difluoro-1,3-benzothiazol-2-yl)urea
CID 146255071
1-(6-chloro-1,3-benzothiazol-2-yl)-3-(3-chloro-4-cyanophenyl)urea
CID 146254972
N-(3-chloro-4-cyanophenyl)-2-[3-(trifluoromethoxy)anilino]acetamide
CID 31774526
3-(3,4-dicyanophenyl)-1-(4,6-difluoro-1,3-benzothiazol-2-yl)-1-methylurea
CID 146255893
2-(3-chloro-4-fluoroanilino)-N-(4-cyanophenyl)acetamide
CID 9099605
2-(3-chloro-4-cyanoanilino)-N-propylacetamide
CID 43346078
N-(3-chloro-4-cyanophenyl)-2-[4-(difluoromethoxy)anilino]acetamide
CID 36586008
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfonylpropanamide
CID 7544182
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 43989296
3-(2-chlorophenyl)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)prop-2-enamide
CID 7193228
2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-(3-chloro-4-cyanophenyl)acetamide
CID 3427027
N-(4,6-difluoro-1,3-benzothiazol-2-yl)naphthalene-2-carboxamide
CID 2150798

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-cyanoanilino)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-(3-chloro-4-cyanoanilino)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)acetamide (CID 146255152) is 2-(3-chloro-4-cyanoanilino)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-(3-chloro-4-cyanoanilino)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-(3-chloro-4-cyanoanilino)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)acetamide is N#Cc1ccc(NCC(=O)Nc2nc3c(F)cc(F)cc3s2)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-cyanoanilino)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is PZJGSQJCTDGPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClF2N4OS/c17-11-5-10(2-1-8(11)6-20)21-7-14(24)22-16-23-15-12(19)3-9(18)4-13(15)25-16/h1-5,21H,7H2,(H,22,23,24).
What are the key properties of 2-(3-chloro-4-cyanoanilino)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)acetamide?
2-(3-chloro-4-cyanoanilino)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 378.79 g/mol, XLogP of 4.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-cyanoanilino)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 146255152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).