N-[(4,4-difluorocyclohexyl)methyl]-4-methylthiadiazole-5-carboxamide

C11H15F2N3OS — CID 154857562

IUPACN-[(4,4-difluorocyclohexyl)methyl]-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NCC1CCC(F)(F)CC1
InChIInChI=1S/C11H15F2N3OS/c1-7-9(18-16-15-7)10(17)14-6-8-2-4-11(12,13)5-3-8/h8H,2-6H2,1H3,(H,14,17)
InChIKeyIWOYAKGNTPSZRG-UHFFFAOYSA-N
MW275.32 g/mol
LogP2.40
Rot. Bonds3

About N-[(4,4-difluorocyclohexyl)methyl]-4-methylthiadiazole-5-carboxamide

N-[(4,4-difluorocyclohexyl)methyl]-4-methylthiadiazole-5-carboxamide (PubChem CID 154857562) has the molecular formula C11H15F2N3OS and a molecular weight of 275.32 g/mol. Its IUPAC name is N-[(4,4-difluorocyclohexyl)methyl]-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4,4-difluorocyclohexyl)methyl]-4-methylthiadiazole-5-carboxamide
PubChem CID154857562
Molecular FormulaC11H15F2N3OS
Molecular Weight275.32 g/mol
Exact Mass275.09
IUPAC NameN-[(4,4-difluorocyclohexyl)methyl]-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NCC1CCC(F)(F)CC1
InChIInChI=1S/C11H15F2N3OS/c1-7-9(18-16-15-7)10(17)14-6-8-2-4-11(12,13)5-3-8/h8H,2-6H2,1H3,(H,14,17)
InChIKeyIWOYAKGNTPSZRG-UHFFFAOYSA-N
XLogP2.40
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4,4-difluorocyclohexyl)methyl]-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-[(4,4-difluorocyclohexyl)methyl]-4-methylthiadiazole-5-carboxamide (CID 154857562) is N-[(4,4-difluorocyclohexyl)methyl]-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[(4,4-difluorocyclohexyl)methyl]-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-[(4,4-difluorocyclohexyl)methyl]-4-methylthiadiazole-5-carboxamide is Cc1nnsc1C(=O)NCC1CCC(F)(F)CC1.
What is the InChIKey of N-[(4,4-difluorocyclohexyl)methyl]-4-methylthiadiazole-5-carboxamide?
The InChIKey is IWOYAKGNTPSZRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N3OS/c1-7-9(18-16-15-7)10(17)14-6-8-2-4-11(12,13)5-3-8/h8H,2-6H2,1H3,(H,14,17).
What are the key properties of N-[(4,4-difluorocyclohexyl)methyl]-4-methylthiadiazole-5-carboxamide?
N-[(4,4-difluorocyclohexyl)methyl]-4-methylthiadiazole-5-carboxamide has a molecular weight of 275.32 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,4-difluorocyclohexyl)methyl]-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 154857562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).