1-(2-chlorophenyl)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide

C20H11ClF2N4OS2 — CID 2429755

IUPAC1-(2-chlorophenyl)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(-c2ccccc2Cl)c2sc(C(=O)Nc3nc4c(F)cc(F)cc4s3)cc12
InChIInChI=1S/C20H11ClF2N4OS2/c1-9-11-8-16(29-19(11)27(26-9)14-5-3-2-4-12(14)21)18(28)25-20-24-17-13(23)6-10(22)7-15(17)30-20/h2-8H,1H3,(H,24,25,28)
InChIKeyQYYOZRADVRAYBT-UHFFFAOYSA-N
MW460.92 g/mol
LogP6.19
Rot. Bonds3

About 1-(2-chlorophenyl)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide

1-(2-chlorophenyl)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 2429755) has the molecular formula C20H11ClF2N4OS2 and a molecular weight of 460.92 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID2429755
Molecular FormulaC20H11ClF2N4OS2
Molecular Weight460.92 g/mol
Exact Mass460.00
IUPAC Name1-(2-chlorophenyl)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(-c2ccccc2Cl)c2sc(C(=O)Nc3nc4c(F)cc(F)cc4s3)cc12
InChIInChI=1S/C20H11ClF2N4OS2/c1-9-11-8-16(29-19(11)27(26-9)14-5-3-2-4-12(14)21)18(28)25-20-24-17-13(23)6-10(22)7-15(17)30-20/h2-8H,1H3,(H,24,25,28)
InChIKeyQYYOZRADVRAYBT-UHFFFAOYSA-N
XLogP6.19
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.92
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-carbamoyl-3-fluoro-2-methylphenyl)-1-(2-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 55785532
1-(2-chlorophenyl)-3-methyl-N-[2-(methylamino)ethyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 119503929
1-(2-chlorophenyl)-N-[4-(diethylcarbamoyl)phenyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 16546983
1-(2-chlorophenyl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 55515718
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-1,5-dimethylpyrazole-3-carboxamide
CID 16809678
1-(2-chlorophenyl)-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 55502265
1-(2-chlorophenyl)-N-[2-(ethylamino)ethyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
CID 119509052
N-(2-amino-1-cyclopropylethyl)-1-(2-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 119617320
ethyl N-[2-[[1-(2-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carbonyl]amino]ethyl]carbamate
CID 56557657
N-(4-aminocyclohexyl)-1-(2-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
CID 119478640
[2-(3-fluoroanilino)-2-oxoethyl] 1-(2-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylate
CID 23820817
[2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 1-(2-chlorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylate
CID 16527344

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide (CID 2429755) is 1-(2-chlorophenyl)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide is Cc1nn(-c2ccccc2Cl)c2sc(C(=O)Nc3nc4c(F)cc(F)cc4s3)cc12.
What is the InChIKey of 1-(2-chlorophenyl)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is QYYOZRADVRAYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11ClF2N4OS2/c1-9-11-8-16(29-19(11)27(26-9)14-5-3-2-4-12(14)21)18(28)25-20-24-17-13(23)6-10(22)7-15(17)30-20/h2-8H,1H3,(H,24,25,28).
What are the key properties of 1-(2-chlorophenyl)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide?
1-(2-chlorophenyl)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 460.92 g/mol, XLogP of 6.19, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3-methylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 2429755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).