4-ethyl-N-[(4-fluorocyclohexyl)methyl]thiadiazole-5-carboxamide

C12H18FN3OS — CID 166239910

IUPAC4-ethyl-N-[(4-fluorocyclohexyl)methyl]thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NCC1CCC(F)CC1
InChIInChI=1S/C12H18FN3OS/c1-2-10-11(18-16-15-10)12(17)14-7-8-3-5-9(13)6-4-8/h8-9H,2-7H2,1H3,(H,14,17)
InChIKeyPDNVWJDUNVEIFI-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.36
Rot. Bonds4

About 4-ethyl-N-[(4-fluorocyclohexyl)methyl]thiadiazole-5-carboxamide

4-ethyl-N-[(4-fluorocyclohexyl)methyl]thiadiazole-5-carboxamide (PubChem CID 166239910) has the molecular formula C12H18FN3OS and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-ethyl-N-[(4-fluorocyclohexyl)methyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[(4-fluorocyclohexyl)methyl]thiadiazole-5-carboxamide
PubChem CID166239910
Molecular FormulaC12H18FN3OS
Molecular Weight271.36 g/mol
Exact Mass271.12
IUPAC Name4-ethyl-N-[(4-fluorocyclohexyl)methyl]thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)NCC1CCC(F)CC1
InChIInChI=1S/C12H18FN3OS/c1-2-10-11(18-16-15-10)12(17)14-7-8-3-5-9(13)6-4-8/h8-9H,2-7H2,1H3,(H,14,17)
InChIKeyPDNVWJDUNVEIFI-UHFFFAOYSA-N
XLogP2.36
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[(4-fluorocyclohexyl)methyl]thiadiazole-5-carboxamide?
The IUPAC name of 4-ethyl-N-[(4-fluorocyclohexyl)methyl]thiadiazole-5-carboxamide (CID 166239910) is 4-ethyl-N-[(4-fluorocyclohexyl)methyl]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-ethyl-N-[(4-fluorocyclohexyl)methyl]thiadiazole-5-carboxamide?
The canonical SMILES for 4-ethyl-N-[(4-fluorocyclohexyl)methyl]thiadiazole-5-carboxamide is CCc1nnsc1C(=O)NCC1CCC(F)CC1.
What is the InChIKey of 4-ethyl-N-[(4-fluorocyclohexyl)methyl]thiadiazole-5-carboxamide?
The InChIKey is PDNVWJDUNVEIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3OS/c1-2-10-11(18-16-15-10)12(17)14-7-8-3-5-9(13)6-4-8/h8-9H,2-7H2,1H3,(H,14,17).
What are the key properties of 4-ethyl-N-[(4-fluorocyclohexyl)methyl]thiadiazole-5-carboxamide?
4-ethyl-N-[(4-fluorocyclohexyl)methyl]thiadiazole-5-carboxamide has a molecular weight of 271.36 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[(4-fluorocyclohexyl)methyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 166239910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).