5-[(4,4-difluorocyclohexyl)methyl]thiadiazole-4-carboxamide

C10H13F2N3OS — CID 175864492

IUPAC5-[(4,4-difluorocyclohexyl)methyl]thiadiazole-4-carboxamide
SMILESNC(=O)c1nnsc1CC1CCC(F)(F)CC1
InChIInChI=1S/C10H13F2N3OS/c11-10(12)3-1-6(2-4-10)5-7-8(9(13)16)14-15-17-7/h6H,1-5H2,(H2,13,16)
InChIKeyHASMGNLQHMNLHE-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.01
Rot. Bonds3

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

5-[(4,4-difluorocyclohexyl)methyl]thiadiazole-4-carboxamide (PubChem CID 175864492) has the molecular formula C10H13F2N3OS and a molecular weight of 261.30 g/mol. Its IUPAC name is 5-[(4,4-difluorocyclohexyl)methyl]thiadiazole-4-carboxamide.

Molecular Properties

Compound Name5-[(4,4-difluorocyclohexyl)methyl]thiadiazole-4-carboxamide
PubChem CID175864492
Molecular FormulaC10H13F2N3OS
Molecular Weight261.30 g/mol
Exact Mass261.07
IUPAC Name5-[(4,4-difluorocyclohexyl)methyl]thiadiazole-4-carboxamide
SMILESNC(=O)c1nnsc1CC1CCC(F)(F)CC1
InChIInChI=1S/C10H13F2N3OS/c11-10(12)3-1-6(2-4-10)5-7-8(9(13)16)14-15-17-7/h6H,1-5H2,(H2,13,16)
InChIKeyHASMGNLQHMNLHE-UHFFFAOYSA-N
XLogP2.01
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4,4-difluorocyclohexyl)methyl]-2H-triazole-4-carboxylic acid
CID 175397055
3-[(4,4-difluorocyclohexyl)methyl]-1-(difluoromethyl)pyrazole-5-carboxamide
CID 175397110
3-amino-6-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)pyridine-2-carboxamide
CID 90985661
5-(4,4-difluorocyclohexyl)-2-methyltriazole-4-carboxamide
CID 175584216
(2S)-2-amino-3-(4,4-difluorocyclohexyl)propanoic acid;hydrochloride
CID 138958473
3-[4-[2-(4,4-difluorocyclohexyl)ethyl]phenyl]benzamide
CID 58276647
3-[4-[2-(4,4-difluorocyclohexyl)ethyl]phenyl]benzamide;2,2,2-trifluoroacetic acid
CID 123297281
2-(4,4-difluorocyclohexyl)thiophene-3-carboxamide;dihydrochloride
CID 158683397
(4,4-difluorocyclohexyl)methyl 2-amino-2-methylpropanoate
CID 162724769
4-[6-amino-5-(4,4-difluorocyclohexyl)-3-hydroxy-6-oxohexyl]-1,3-thiazole-2-carboxamide
CID 22452307
1-[(3,3-difluorocyclopentyl)methyl]triazole-4-carboxamide
CID 146136211
(4,4-difluorocyclohexyl)methanol;ethane
CID 162726117

Frequently Asked Questions

What is the IUPAC name of 5-[(4,4-difluorocyclohexyl)methyl]thiadiazole-4-carboxamide?
The IUPAC name of 5-[(4,4-difluorocyclohexyl)methyl]thiadiazole-4-carboxamide (CID 175864492) is 5-[(4,4-difluorocyclohexyl)methyl]thiadiazole-4-carboxamide.
What is the SMILES notation for 5-[(4,4-difluorocyclohexyl)methyl]thiadiazole-4-carboxamide?
The canonical SMILES for 5-[(4,4-difluorocyclohexyl)methyl]thiadiazole-4-carboxamide is NC(=O)c1nnsc1CC1CCC(F)(F)CC1.
What is the InChIKey of 5-[(4,4-difluorocyclohexyl)methyl]thiadiazole-4-carboxamide?
The InChIKey is HASMGNLQHMNLHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N3OS/c11-10(12)3-1-6(2-4-10)5-7-8(9(13)16)14-15-17-7/h6H,1-5H2,(H2,13,16).
What are the key properties of 5-[(4,4-difluorocyclohexyl)methyl]thiadiazole-4-carboxamide?
5-[(4,4-difluorocyclohexyl)methyl]thiadiazole-4-carboxamide has a molecular weight of 261.30 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4,4-difluorocyclohexyl)methyl]thiadiazole-4-carboxamide is sourced from PubChem (CID 175864492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).