N-cyclopropyl-2-[(2,4-difluorophenoxy)methyl]-1,3-thiazole-4-carboxamide

C14H12F2N2O2S — CID 24712620

IUPACN-cyclopropyl-2-[(2,4-difluorophenoxy)methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NC1CC1)c1csc(COc2ccc(F)cc2F)n1
InChIInChI=1S/C14H12F2N2O2S/c15-8-1-4-12(10(16)5-8)20-6-13-18-11(7-21-13)14(19)17-9-2-3-9/h1,4-5,7,9H,2-3,6H2,(H,17,19)
InChIKeyPFCYEVVCQVAXOL-UHFFFAOYSA-N
MW310.32 g/mol
LogP2.89
Rot. Bonds5

About N-cyclopropyl-2-[(2,4-difluorophenoxy)methyl]-1,3-thiazole-4-carboxamide

N-cyclopropyl-2-[(2,4-difluorophenoxy)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 24712620) has the molecular formula C14H12F2N2O2S and a molecular weight of 310.32 g/mol. Its IUPAC name is N-cyclopropyl-2-[(2,4-difluorophenoxy)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[(2,4-difluorophenoxy)methyl]-1,3-thiazole-4-carboxamide
PubChem CID24712620
Molecular FormulaC14H12F2N2O2S
Molecular Weight310.32 g/mol
Exact Mass310.06
IUPAC NameN-cyclopropyl-2-[(2,4-difluorophenoxy)methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NC1CC1)c1csc(COc2ccc(F)cc2F)n1
InChIInChI=1S/C14H12F2N2O2S/c15-8-1-4-12(10(16)5-8)20-6-13-18-11(7-21-13)14(19)17-9-2-3-9/h1,4-5,7,9H,2-3,6H2,(H,17,19)
InChIKeyPFCYEVVCQVAXOL-UHFFFAOYSA-N
XLogP2.89
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]-2-[(4-cyanophenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 155754761
2-((4-Chlorophenoxy)methyl)-N-(cyanomethyl)thiazole-4-carboxamide (4b)
CID 127054050
2-((4-Chlorophenoxy)methyl)-N-(2-sulfamoylethyl)thiazole-4-carboxamide (4c)
CID 127054051
N-(1,1-dioxo-1lambda6-thiolan-3-yl)-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 17441991
2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-(3-sulfanylpropyl)thiazole-4-carboxamide
CID 493396
N-[(3s)-1,1-Dioxidotetrahydrothiophen-3-Yl]-2-[(4-Methylphenoxy)methyl]-1,3-Thiazole-4-Carboxamide
CID 40803889
2-[[2-[(4-Fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl-propan-2-ylamino]acetamide
CID 56810267
N-cyclopropyl-2-[(3-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 24712420
[2-[(2-Fluorophenoxy)methyl]-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 24712457
[2-[(3-Fluorophenoxy)methyl]-1,3-thiazol-4-yl]-pyrrolidin-1-ylmethanone
CID 24712460
N-ethyl-2-[(4-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide
CID 24712465
[2-[(2,4-Difluorophenoxy)methyl]-1,3-thiazol-4-yl]-morpholin-4-ylmethanone
CID 24712619

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[(2,4-difluorophenoxy)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-cyclopropyl-2-[(2,4-difluorophenoxy)methyl]-1,3-thiazole-4-carboxamide (CID 24712620) is N-cyclopropyl-2-[(2,4-difluorophenoxy)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-[(2,4-difluorophenoxy)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-cyclopropyl-2-[(2,4-difluorophenoxy)methyl]-1,3-thiazole-4-carboxamide is O=C(NC1CC1)c1csc(COc2ccc(F)cc2F)n1.
What is the InChIKey of N-cyclopropyl-2-[(2,4-difluorophenoxy)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is PFCYEVVCQVAXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2O2S/c15-8-1-4-12(10(16)5-8)20-6-13-18-11(7-21-13)14(19)17-9-2-3-9/h1,4-5,7,9H,2-3,6H2,(H,17,19).
What are the key properties of N-cyclopropyl-2-[(2,4-difluorophenoxy)methyl]-1,3-thiazole-4-carboxamide?
N-cyclopropyl-2-[(2,4-difluorophenoxy)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 310.32 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[(2,4-difluorophenoxy)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 24712620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).