N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-(3,5-dimethylpyrazol-1-yl)acetamide

C14H12F2N4OS — CID 43989296

IUPACN-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
SMILESCc1cc(C)n(CC(=O)Nc2nc3c(F)cc(F)cc3s2)n1
InChIInChI=1S/C14H12F2N4OS/c1-7-3-8(2)20(19-7)6-12(21)17-14-18-13-10(16)4-9(15)5-11(13)22-14/h3-5H,6H2,1-2H3,(H,17,18,21)
InChIKeyLIPSVCMAKWOQOT-UHFFFAOYSA-N
MW322.34 g/mol
LogP3.03
Rot. Bonds3

About N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-(3,5-dimethylpyrazol-1-yl)acetamide

N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-(3,5-dimethylpyrazol-1-yl)acetamide (PubChem CID 43989296) has the molecular formula C14H12F2N4OS and a molecular weight of 322.34 g/mol. Its IUPAC name is N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-(3,5-dimethylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
PubChem CID43989296
Molecular FormulaC14H12F2N4OS
Molecular Weight322.34 g/mol
Exact Mass322.07
IUPAC NameN-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
SMILESCc1cc(C)n(CC(=O)Nc2nc3c(F)cc(F)cc3s2)n1
InChIInChI=1S/C14H12F2N4OS/c1-7-3-8(2)20(19-7)6-12(21)17-14-18-13-10(16)4-9(15)5-11(13)22-14/h3-5H,6H2,1-2H3,(H,17,18,21)
InChIKeyLIPSVCMAKWOQOT-UHFFFAOYSA-N
XLogP3.03
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4,6-difluoro-1,3-benzothiazol-2-yl)-1,5-dimethylpyrazole-3-carboxamide
CID 16809678
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanamide
CID 17421640
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-(3-methoxyphenyl)acetamide
CID 16911522
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfonylpropanamide
CID 7544182
N-(2,4-dichloro-6-fluorophenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 75501492
N-(6-fluoro-4-methoxy-1,3-benzothiazol-2-yl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 122157683
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-(3-methoxyphenoxy)acetamide
CID 43989031
2-(3,5-dimethylpyrazol-1-yl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide
CID 78927996
4-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-2-fluorobenzoic acid
CID 103791396
2-(3,5-dimethylpyrazol-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 800348
5-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]thiophene-2-carboxylic acid
CID 43648240
2-(3,5-dimethylpyrazol-1-yl)-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]acetamide
CID 60800509

Frequently Asked Questions

What is the IUPAC name of N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-(3,5-dimethylpyrazol-1-yl)acetamide?
The IUPAC name of N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-(3,5-dimethylpyrazol-1-yl)acetamide (CID 43989296) is N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-(3,5-dimethylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-(3,5-dimethylpyrazol-1-yl)acetamide?
The canonical SMILES for N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-(3,5-dimethylpyrazol-1-yl)acetamide is Cc1cc(C)n(CC(=O)Nc2nc3c(F)cc(F)cc3s2)n1.
What is the InChIKey of N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-(3,5-dimethylpyrazol-1-yl)acetamide?
The InChIKey is LIPSVCMAKWOQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N4OS/c1-7-3-8(2)20(19-7)6-12(21)17-14-18-13-10(16)4-9(15)5-11(13)22-14/h3-5H,6H2,1-2H3,(H,17,18,21).
What are the key properties of N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-(3,5-dimethylpyrazol-1-yl)acetamide?
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-(3,5-dimethylpyrazol-1-yl)acetamide has a molecular weight of 322.34 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-(3,5-dimethylpyrazol-1-yl)acetamide is sourced from PubChem (CID 43989296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).