N-[(2,6-difluorophenyl)methyl]-3-methyl-1,2,4-thiadiazole-5-carboxamide

C11H9F2N3OS — CID 71807165

IUPACN-[(2,6-difluorophenyl)methyl]-3-methyl-1,2,4-thiadiazole-5-carboxamide
SMILESCc1nsc(C(=O)NCc2c(F)cccc2F)n1
InChIInChI=1S/C11H9F2N3OS/c1-6-15-11(18-16-6)10(17)14-5-7-8(12)3-2-4-9(7)13/h2-4H,5H2,1H3,(H,14,17)
InChIKeyNLVDRERNSQKHME-UHFFFAOYSA-N
MW269.28 g/mol
LogP2.05
Rot. Bonds3

About N-[(2,6-difluorophenyl)methyl]-3-methyl-1,2,4-thiadiazole-5-carboxamide

N-[(2,6-difluorophenyl)methyl]-3-methyl-1,2,4-thiadiazole-5-carboxamide (PubChem CID 71807165) has the molecular formula C11H9F2N3OS and a molecular weight of 269.28 g/mol. Its IUPAC name is N-[(2,6-difluorophenyl)methyl]-3-methyl-1,2,4-thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2,6-difluorophenyl)methyl]-3-methyl-1,2,4-thiadiazole-5-carboxamide
PubChem CID71807165
Molecular FormulaC11H9F2N3OS
Molecular Weight269.28 g/mol
Exact Mass269.04
IUPAC NameN-[(2,6-difluorophenyl)methyl]-3-methyl-1,2,4-thiadiazole-5-carboxamide
SMILESCc1nsc(C(=O)NCc2c(F)cccc2F)n1
InChIInChI=1S/C11H9F2N3OS/c1-6-15-11(18-16-6)10(17)14-5-7-8(12)3-2-4-9(7)13/h2-4H,5H2,1H3,(H,14,17)
InChIKeyNLVDRERNSQKHME-UHFFFAOYSA-N
XLogP2.05
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[(2,6-difluorophenyl)methyl]acetamide;hydrochloride
CID 130684116
N-[(2,6-difluorophenyl)methyl]benzamide
CID 68650306
N-[(2,6-difluorophenyl)methyl]-4-[(4-methyl-1,3-thiazol-2-yl)methoxy]benzamide
CID 121094385
2-(2-acetamido-1,3-thiazol-4-yl)-N-[(2,6-difluorophenyl)methyl]acetamide
CID 27396769
4-cyano-N-[(2,6-difluorophenyl)methyl]benzamide
CID 69070072
4-chloro-N-[(2,6-difluorophenyl)methyl]-3-[(2,2,2-trifluoroacetyl)amino]-1,2-thiazole-5-carboxamide
CID 121437488
N-[(2,6-difluorophenyl)methyl]-2-isocyanoacetamide
CID 164823078
N-[(2,6-difluorophenyl)methyl]-1-methyl-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7619615
N-[(2,6-difluorophenyl)methyl]-3-methyl-3-(methylamino)butanamide
CID 110838253
N-[(2,6-difluorophenyl)methyl]-6-(4-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 121031608
N-[(2,6-difluorophenyl)methyl]-2-hydrazinyl-2-oxoacetamide
CID 146597480
4-tert-butyl-N-[(2-chloro-6-fluorophenyl)methyl]thiadiazole-5-carboxamide
CID 25190403

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-difluorophenyl)methyl]-3-methyl-1,2,4-thiadiazole-5-carboxamide?
The IUPAC name of N-[(2,6-difluorophenyl)methyl]-3-methyl-1,2,4-thiadiazole-5-carboxamide (CID 71807165) is N-[(2,6-difluorophenyl)methyl]-3-methyl-1,2,4-thiadiazole-5-carboxamide.
What is the SMILES notation for N-[(2,6-difluorophenyl)methyl]-3-methyl-1,2,4-thiadiazole-5-carboxamide?
The canonical SMILES for N-[(2,6-difluorophenyl)methyl]-3-methyl-1,2,4-thiadiazole-5-carboxamide is Cc1nsc(C(=O)NCc2c(F)cccc2F)n1.
What is the InChIKey of N-[(2,6-difluorophenyl)methyl]-3-methyl-1,2,4-thiadiazole-5-carboxamide?
The InChIKey is NLVDRERNSQKHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2N3OS/c1-6-15-11(18-16-6)10(17)14-5-7-8(12)3-2-4-9(7)13/h2-4H,5H2,1H3,(H,14,17).
What are the key properties of N-[(2,6-difluorophenyl)methyl]-3-methyl-1,2,4-thiadiazole-5-carboxamide?
N-[(2,6-difluorophenyl)methyl]-3-methyl-1,2,4-thiadiazole-5-carboxamide has a molecular weight of 269.28 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-difluorophenyl)methyl]-3-methyl-1,2,4-thiadiazole-5-carboxamide is sourced from PubChem (CID 71807165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).