2-[(2,5-difluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide

C12H10F2N2OS — CID 68882074

IUPAC2-[(2,5-difluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(Cc2cc(F)ccc2F)sc1C(N)=O
InChIInChI=1S/C12H10F2N2OS/c1-6-11(12(15)17)18-10(16-6)5-7-4-8(13)2-3-9(7)14/h2-4H,5H2,1H3,(H2,15,17)
InChIKeyDLSUGZNHOFXOOI-UHFFFAOYSA-N
MW268.29 g/mol
LogP2.42
Rot. Bonds3

About 2-[(2,5-difluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide

2-[(2,5-difluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 68882074) has the molecular formula C12H10F2N2OS and a molecular weight of 268.29 g/mol. Its IUPAC name is 2-[(2,5-difluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[(2,5-difluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID68882074
Molecular FormulaC12H10F2N2OS
Molecular Weight268.29 g/mol
Exact Mass268.05
IUPAC Name2-[(2,5-difluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(Cc2cc(F)ccc2F)sc1C(N)=O
InChIInChI=1S/C12H10F2N2OS/c1-6-11(12(15)17)18-10(16-6)5-7-4-8(13)2-3-9(7)14/h2-4H,5H2,1H3,(H2,15,17)
InChIKeyDLSUGZNHOFXOOI-UHFFFAOYSA-N
XLogP2.42
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 47183801
2-[5-[(2,5-difluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]acetic acid
CID 83970138
2-[(2,5-difluorophenyl)methyl]-5-ethyl-1,3,4-thiadiazole
CID 126611875
2-[(2,5-difluorophenyl)methyl]-5-propan-2-yl-1,3,4-thiadiazole
CID 126611872
2-[(2,5-difluorophenyl)methyl]-1,3-thiazole-4-carboxylic acid
CID 82482171
4-methyl-2-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 116887735
2-(2,5-difluorophenyl)acetamide
CID 21245498
methyl 2-[(3-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 113288023
2-[(2,4-difluorophenyl)methyl]-4-(2-methylpropyl)-1,3-thiazole-5-carboxylic acid
CID 114360466
methyl 5-acetyl-2-[(2,4-difluorophenyl)methyl]-1,3-thiazole-4-carboxylate
CID 106696605
N-(5-carbamoyl-1,3-thiazol-2-yl)-2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 78869889
N-[5-[(3-amino-3-oxopropyl)carbamoyl]-2-fluorophenyl]-2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 166194798

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-difluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[(2,5-difluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide (CID 68882074) is 2-[(2,5-difluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[(2,5-difluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[(2,5-difluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(Cc2cc(F)ccc2F)sc1C(N)=O.
What is the InChIKey of 2-[(2,5-difluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is DLSUGZNHOFXOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2OS/c1-6-11(12(15)17)18-10(16-6)5-7-4-8(13)2-3-9(7)14/h2-4H,5H2,1H3,(H2,15,17).
What are the key properties of 2-[(2,5-difluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide?
2-[(2,5-difluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 268.29 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-difluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 68882074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).