N-[5-[1-(2,6-dichlorophenyl)-3-(difluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]-2-[(2S)-pyrrolidin-2-yl]acetamide

C19H17Cl2F2N5OS — CID 53303983

IUPACN-[5-[1-(2,6-dichlorophenyl)-3-(difluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]-2-[(2S)-pyrrolidin-2-yl]acetamide
SMILESO=C(C[C@@H]1CCCN1)Nc1ncc(-c2cc(C(F)F)nn2-c2c(Cl)cccc2Cl)s1
InChIInChI=1S/C19H17Cl2F2N5OS/c20-11-4-1-5-12(21)17(11)28-14(8-13(27-28)18(22)23)15-9-25-19(30-15)26-16(29)7-10-3-2-6-24-10/h1,4-5,8-10,18,24H,2-3,6-7H2,(H,25,26,29)/t10-/m0/s1
InChIKeyDMTPWFOPVPMVHF-JTQLQIEISA-N
MW472.35 g/mol
LogP5.32
Rot. Bonds6

About N-[5-[1-(2,6-dichlorophenyl)-3-(difluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]-2-[(2S)-pyrrolidin-2-yl]acetamide

N-[5-[1-(2,6-dichlorophenyl)-3-(difluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]-2-[(2S)-pyrrolidin-2-yl]acetamide (PubChem CID 53303983) has the molecular formula C19H17Cl2F2N5OS and a molecular weight of 472.35 g/mol. Its IUPAC name is N-[5-[1-(2,6-dichlorophenyl)-3-(difluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]-2-[(2S)-pyrrolidin-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[1-(2,6-dichlorophenyl)-3-(difluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]-2-[(2S)-pyrrolidin-2-yl]acetamide
PubChem CID53303983
Molecular FormulaC19H17Cl2F2N5OS
Molecular Weight472.35 g/mol
Exact Mass471.05
IUPAC NameN-[5-[1-(2,6-dichlorophenyl)-3-(difluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]-2-[(2S)-pyrrolidin-2-yl]acetamide
SMILESO=C(C[C@@H]1CCCN1)Nc1ncc(-c2cc(C(F)F)nn2-c2c(Cl)cccc2Cl)s1
InChIInChI=1S/C19H17Cl2F2N5OS/c20-11-4-1-5-12(21)17(11)28-14(8-13(27-28)18(22)23)15-9-25-19(30-15)26-16(29)7-10-3-2-6-24-10/h1,4-5,8-10,18,24H,2-3,6-7H2,(H,25,26,29)/t10-/m0/s1
InChIKeyDMTPWFOPVPMVHF-JTQLQIEISA-N
XLogP5.32
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.35
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

LIMKi3
CID 56965901
Bms-3
CID 73265272
N-[5-[2-(2,6-dichlorophenyl)-5-(difluoromethyl)pyrazol-3-yl]-1,3-thiazol-2-yl]-2-pyrrolidin-2-ylacetamide
CID 53339310
2-[1-(2,4-dichlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 52636237
N-(5-(1-(2,6-Dichlorophenyl)-3-(difluoromethyl)-1H-pyrazol-5-yl)thiazol-2-yl)butyramide
CID 53339309
N-(5-(1-(2,6-Dichlorophenyl)-3-(difluoromethyl)-1H-pyrazol-5-yl)thiazol-2-yl)-4-(dimethylamino)butanamide
CID 53339311
5-(1-(2,6-Dichlorophenyl)-3-(difluoromethyl)-1H-pyrazol-5-yl)thiazol-2-amine
CID 86677583
N-(2-chlorophenyl)-N-[5-[1-ethyl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]formamide
CID 87147667
N-(2-chlorophenyl)-N-[5-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]formamide
CID 87147773
4-acetamido-N-[5-[2-(2,6-dichlorophenyl)-5-(difluoromethyl)pyrazol-3-yl]-1,3-thiazol-2-yl]butanamide
CID 87378025
1-(2-chlorophenyl)-N-(1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 90149388
2-[5-[1-(2,6-dichlorophenyl)-3-(difluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]-2-[(2S)-pyrrolidin-2-yl]acetamide
CID 123631455

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-(2,6-dichlorophenyl)-3-(difluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]-2-[(2S)-pyrrolidin-2-yl]acetamide?
The IUPAC name of N-[5-[1-(2,6-dichlorophenyl)-3-(difluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]-2-[(2S)-pyrrolidin-2-yl]acetamide (CID 53303983) is N-[5-[1-(2,6-dichlorophenyl)-3-(difluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]-2-[(2S)-pyrrolidin-2-yl]acetamide.
What is the SMILES notation for N-[5-[1-(2,6-dichlorophenyl)-3-(difluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]-2-[(2S)-pyrrolidin-2-yl]acetamide?
The canonical SMILES for N-[5-[1-(2,6-dichlorophenyl)-3-(difluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]-2-[(2S)-pyrrolidin-2-yl]acetamide is O=C(C[C@@H]1CCCN1)Nc1ncc(-c2cc(C(F)F)nn2-c2c(Cl)cccc2Cl)s1.
What is the InChIKey of N-[5-[1-(2,6-dichlorophenyl)-3-(difluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]-2-[(2S)-pyrrolidin-2-yl]acetamide?
The InChIKey is DMTPWFOPVPMVHF-JTQLQIEISA-N. The full InChI is InChI=1S/C19H17Cl2F2N5OS/c20-11-4-1-5-12(21)17(11)28-14(8-13(27-28)18(22)23)15-9-25-19(30-15)26-16(29)7-10-3-2-6-24-10/h1,4-5,8-10,18,24H,2-3,6-7H2,(H,25,26,29)/t10-/m0/s1.
What are the key properties of N-[5-[1-(2,6-dichlorophenyl)-3-(difluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]-2-[(2S)-pyrrolidin-2-yl]acetamide?
N-[5-[1-(2,6-dichlorophenyl)-3-(difluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]-2-[(2S)-pyrrolidin-2-yl]acetamide has a molecular weight of 472.35 g/mol, XLogP of 5.32, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-(2,6-dichlorophenyl)-3-(difluoromethyl)pyrazol-5-yl]-1,3-thiazol-2-yl]-2-[(2S)-pyrrolidin-2-yl]acetamide is sourced from PubChem (CID 53303983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).