N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-3,3-difluorocyclohexane-1-carboxamide

C14H21F2N3OS — CID 154739812

IUPACN-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-3,3-difluorocyclohexane-1-carboxamide
SMILESCC(C)(C)c1nnc(CNC(=O)C2CCCC(F)(F)C2)s1
InChIInChI=1S/C14H21F2N3OS/c1-13(2,3)12-19-18-10(21-12)8-17-11(20)9-5-4-6-14(15,16)7-9/h9H,4-8H2,1-3H3,(H,17,20)
InChIKeyRBKTXCSSOMCWGO-UHFFFAOYSA-N
MW317.41 g/mol
LogP3.28
Rot. Bonds3

About N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-3,3-difluorocyclohexane-1-carboxamide

N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-3,3-difluorocyclohexane-1-carboxamide (PubChem CID 154739812) has the molecular formula C14H21F2N3OS and a molecular weight of 317.41 g/mol. Its IUPAC name is N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-3,3-difluorocyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-3,3-difluorocyclohexane-1-carboxamide
PubChem CID154739812
Molecular FormulaC14H21F2N3OS
Molecular Weight317.41 g/mol
Exact Mass317.14
IUPAC NameN-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-3,3-difluorocyclohexane-1-carboxamide
SMILESCC(C)(C)c1nnc(CNC(=O)C2CCCC(F)(F)C2)s1
InChIInChI=1S/C14H21F2N3OS/c1-13(2,3)12-19-18-10(21-12)8-17-11(20)9-5-4-6-14(15,16)7-9/h9H,4-8H2,1-3H3,(H,17,20)
InChIKeyRBKTXCSSOMCWGO-UHFFFAOYSA-N
XLogP3.28
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-3,3-difluorocyclohexane-1-carboxamide with MolForge

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Related Compounds

3-amino-N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]cyclopentane-1-carboxamide
CID 119820909
N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119344857
3,3-difluoro-N-(2-hydroxyethyl)cyclohexane-1-carboxamide
CID 130487789
2-amino-N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-2-methylpropanamide
CID 119344847
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4,4-difluorocyclohexane-1-carboxamide
CID 126792438
N-(2-tert-butylpyrimidin-5-yl)-3,3-difluorocyclohexane-1-carboxamide
CID 146121815
4-tert-butyl-N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]piperidine-1-carboxamide
CID 127463918
1-(cyclobutanecarbonyl)-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]piperidine-4-carboxamide
CID 72889005
2-amino-N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]acetamide
CID 83631570
N-ethoxy-3,3-difluorocyclohexane-1-carboxamide
CID 130487784
N-(4-amino-4-sulfanylidenebutan-2-yl)-3,3-difluorocyclohexane-1-carboxamide
CID 114226310
(1R)-3,3-difluoro-N-[(2R)-2-(4-methoxyphenoxy)propyl]cyclohexane-1-carboxamide
CID 124874507

Frequently Asked Questions

What is the IUPAC name of N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-3,3-difluorocyclohexane-1-carboxamide?
The IUPAC name of N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-3,3-difluorocyclohexane-1-carboxamide (CID 154739812) is N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-3,3-difluorocyclohexane-1-carboxamide.
What is the SMILES notation for N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-3,3-difluorocyclohexane-1-carboxamide?
The canonical SMILES for N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-3,3-difluorocyclohexane-1-carboxamide is CC(C)(C)c1nnc(CNC(=O)C2CCCC(F)(F)C2)s1.
What is the InChIKey of N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-3,3-difluorocyclohexane-1-carboxamide?
The InChIKey is RBKTXCSSOMCWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2N3OS/c1-13(2,3)12-19-18-10(21-12)8-17-11(20)9-5-4-6-14(15,16)7-9/h9H,4-8H2,1-3H3,(H,17,20).
What are the key properties of N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-3,3-difluorocyclohexane-1-carboxamide?
N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-3,3-difluorocyclohexane-1-carboxamide has a molecular weight of 317.41 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methyl]-3,3-difluorocyclohexane-1-carboxamide is sourced from PubChem (CID 154739812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).