N-[(2,6-difluorophenyl)methyl]-4-methylthiadiazole-5-carboxamide

C11H9F2N3OS — CID 6917368

IUPACN-[(2,6-difluorophenyl)methyl]-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NCc1c(F)cccc1F
InChIInChI=1S/C11H9F2N3OS/c1-6-10(18-16-15-6)11(17)14-5-7-8(12)3-2-4-9(7)13/h2-4H,5H2,1H3,(H,14,17)
InChIKeyFXVPKMBLVOBZDL-UHFFFAOYSA-N
MW269.28 g/mol
LogP2.05
Rot. Bonds3

About N-[(2,6-difluorophenyl)methyl]-4-methylthiadiazole-5-carboxamide

N-[(2,6-difluorophenyl)methyl]-4-methylthiadiazole-5-carboxamide (PubChem CID 6917368) has the molecular formula C11H9F2N3OS and a molecular weight of 269.28 g/mol. Its IUPAC name is N-[(2,6-difluorophenyl)methyl]-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2,6-difluorophenyl)methyl]-4-methylthiadiazole-5-carboxamide
PubChem CID6917368
Molecular FormulaC11H9F2N3OS
Molecular Weight269.28 g/mol
Exact Mass269.04
IUPAC NameN-[(2,6-difluorophenyl)methyl]-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NCc1c(F)cccc1F
InChIInChI=1S/C11H9F2N3OS/c1-6-10(18-16-15-6)11(17)14-5-7-8(12)3-2-4-9(7)13/h2-4H,5H2,1H3,(H,14,17)
InChIKeyFXVPKMBLVOBZDL-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

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CID 25190348
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CID 25190399
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CID 25190400
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CID 44443739
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CID 130431461
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CID 3715739
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CID 2813487
CID 2813487

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-difluorophenyl)methyl]-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-[(2,6-difluorophenyl)methyl]-4-methylthiadiazole-5-carboxamide (CID 6917368) is N-[(2,6-difluorophenyl)methyl]-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[(2,6-difluorophenyl)methyl]-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-[(2,6-difluorophenyl)methyl]-4-methylthiadiazole-5-carboxamide is Cc1nnsc1C(=O)NCc1c(F)cccc1F.
What is the InChIKey of N-[(2,6-difluorophenyl)methyl]-4-methylthiadiazole-5-carboxamide?
The InChIKey is FXVPKMBLVOBZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2N3OS/c1-6-10(18-16-15-6)11(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]-4-methylthiadiazole-5-carboxamide?
N-[(2,6-difluorophenyl)methyl]-4-methylthiadiazole-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]-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 6917368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).