N-[2-(difluoromethoxy)phenyl]-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidine-1-carboxamide

C16H17F2N3O2S — CID 126794828

IUPACN-[2-(difluoromethoxy)phenyl]-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidine-1-carboxamide
SMILESCc1nc(C2CCCN2C(=O)Nc2ccccc2OC(F)F)cs1
InChIInChI=1S/C16H17F2N3O2S/c1-10-19-12(9-24-10)13-6-4-8-21(13)16(22)20-11-5-2-3-7-14(11)23-15(17)18/h2-3,5,7,9,13,15H,4,6,8H2,1H3,(H,20,22)
InChIKeyCTJSHVRJENMAPI-UHFFFAOYSA-N
MW353.39 g/mol
LogP4.42
Rot. Bonds4

About N-[2-(difluoromethoxy)phenyl]-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidine-1-carboxamide

N-[2-(difluoromethoxy)phenyl]-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidine-1-carboxamide (PubChem CID 126794828) has the molecular formula C16H17F2N3O2S and a molecular weight of 353.39 g/mol. Its IUPAC name is N-[2-(difluoromethoxy)phenyl]-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(difluoromethoxy)phenyl]-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidine-1-carboxamide
PubChem CID126794828
Molecular FormulaC16H17F2N3O2S
Molecular Weight353.39 g/mol
Exact Mass353.10
IUPAC NameN-[2-(difluoromethoxy)phenyl]-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidine-1-carboxamide
SMILESCc1nc(C2CCCN2C(=O)Nc2ccccc2OC(F)F)cs1
InChIInChI=1S/C16H17F2N3O2S/c1-10-19-12(9-24-10)13-6-4-8-21(13)16(22)20-11-5-2-3-7-14(11)23-15(17)18/h2-3,5,7,9,13,15H,4,6,8H2,1H3,(H,20,22)
InChIKeyCTJSHVRJENMAPI-UHFFFAOYSA-N
XLogP4.42
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidine-1-carboxamide
CID 124886957
(2S)-2-(2-methyl-1,3-thiazol-4-yl)-N-(1-propan-2-ylpyrazol-3-yl)pyrrolidine-1-carboxamide
CID 124736836
(2R)-2-(2-methyl-1,3-thiazol-4-yl)-N-[(1R)-1-thiophen-2-ylpropyl]pyrrolidine-1-carboxamide
CID 124622225
(2R)-2-(2-methyl-1,3-thiazol-4-yl)-N-[(1S)-1-thiophen-2-ylpropyl]pyrrolidine-1-carboxamide
CID 124622224
2-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-N-[2-(difluoromethoxy)phenyl]propanamide
CID 78819026
1-[[2-(difluoromethoxy)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 63031385
N-[2-(difluoromethoxy)phenyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111424799
(2S)-N-(2-methoxyphenyl)-2-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 94080897
(2S)-1-[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 119910424
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-pyridin-2-ylpyrrolidine-1-carboxamide
CID 47071734
(4R)-3-[[2-(difluoromethoxy)phenyl]carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61196141
(2R)-N-(2-ethoxyphenyl)-2-(4-fluorophenyl)pyrrolidine-1-carboxamide
CID 51856655

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethoxy)phenyl]-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-[2-(difluoromethoxy)phenyl]-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidine-1-carboxamide (CID 126794828) is N-[2-(difluoromethoxy)phenyl]-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[2-(difluoromethoxy)phenyl]-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-[2-(difluoromethoxy)phenyl]-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidine-1-carboxamide is Cc1nc(C2CCCN2C(=O)Nc2ccccc2OC(F)F)cs1.
What is the InChIKey of N-[2-(difluoromethoxy)phenyl]-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidine-1-carboxamide?
The InChIKey is CTJSHVRJENMAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3O2S/c1-10-19-12(9-24-10)13-6-4-8-21(13)16(22)20-11-5-2-3-7-14(11)23-15(17)18/h2-3,5,7,9,13,15H,4,6,8H2,1H3,(H,20,22).
What are the key properties of N-[2-(difluoromethoxy)phenyl]-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidine-1-carboxamide?
N-[2-(difluoromethoxy)phenyl]-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidine-1-carboxamide has a molecular weight of 353.39 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethoxy)phenyl]-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 126794828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).